ChemWiki - User contributions [en]

It:Furosemide

2006-10-26T14:08:20Z

Sl1405: 3d structure

[[Image:furosemide.png]]

<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 26-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 26-Oct-06 0 NONE 4
ATOM 1 O 0 0.008 3.767 -0.058 0.00 0.00 O+0
ATOM 2 C 0 0.678 2.605 0.065 0.00 0.00 C+0
ATOM 3 C 0 -0.056 1.328 0.063 0.00 0.00 C+0
ATOM 4 C 0 -1.454 1.321 0.056 0.00 0.00 C+0
ATOM 5 C 0 -2.135 0.125 0.055 0.00 0.00 C+0
ATOM 6 S 0 -3.897 0.119 0.047 0.00 0.00 S+0
ATOM 7 N 0 -4.383 -0.552 -1.387 0.00 0.00 N+0
ATOM 8 O 0 -4.285 -0.804 1.056 0.00 0.00 O+0
ATOM 9 O 0 -4.287 1.484 -0.014 0.00 0.00 O+0
ATOM 10 C 0 -1.441 -1.077 0.058 0.00 0.00 C+0
ATOM 11 Cl 0 -2.314 -2.578 0.055 0.00 0.00 Cl+0
ATOM 12 C 0 -0.060 -1.087 0.065 0.00 0.00 C+0
ATOM 13 C 0 0.644 0.111 0.061 0.00 0.00 C+0
ATOM 14 N 0 2.032 0.104 0.062 0.00 0.00 N+0
ATOM 15 C 0 2.759 -1.162 -0.061 0.00 0.00 C+0
ATOM 16 C 0 4.242 -0.895 -0.034 0.00 0.00 C+0
ATOM 17 C 0 5.015 -0.862 1.067 0.00 0.00 C+0
ATOM 18 C 0 6.331 -0.580 0.634 0.00 0.00 C+0
ATOM 19 C 0 6.284 -0.459 -0.705 0.00 0.00 C+0
ATOM 20 O 0 5.016 -0.657 -1.104 0.00 0.00 O+0
ATOM 21 O 0 1.888 2.609 0.177 0.00 0.00 O+0
ATOM 22 H 0 0.490 4.606 -0.056 0.00 0.00 H+0
ATOM 23 H 0 -2.000 2.253 0.053 0.00 0.00 H+0
ATOM 24 H 0 -3.723 -0.852 -2.031 0.00 0.00 H+0
ATOM 25 H 0 -5.329 -0.645 -1.583 0.00 0.00 H+0
ATOM 26 H 0 0.473 -2.026 0.068 0.00 0.00 H+0
ATOM 27 H 0 2.521 0.938 0.143 0.00 0.00 H+0
ATOM 28 H 0 2.492 -1.816 0.770 0.00 0.00 H+0
ATOM 29 H 0 2.493 -1.644 -1.002 0.00 0.00 H+0
ATOM 30 H 0 4.692 -1.019 2.085 0.00 0.00 H+0
ATOM 31 H 0 7.207 -0.481 1.258 0.00 0.00 H+0
ATOM 32 H 0 7.123 -0.243 -1.350 0.00 0.00 H+0
CONECT 1 2 22 0 0 NONE 37
CONECT 2 1 3 21 0 NONE 38
CONECT 3 2 4 13 0 NONE 39
CONECT 4 3 5 23 0 NONE 40
CONECT 5 4 6 10 0 NONE 41
CONECT 6 5 7 8 9 NONE 42
CONECT 7 6 24 25 0 NONE 43
CONECT 8 6 0 0 0 NONE 44
CONECT 9 6 0 0 0 NONE 45
CONECT 10 5 11 12 0 NONE 46
CONECT 11 10 0 0 0 NONE 47
CONECT 12 10 13 26 0 NONE 48
CONECT 13 3 12 14 0 NONE 49
CONECT 14 13 15 27 0 NONE 50
CONECT 15 14 16 28 29 NONE 51
CONECT 16 15 20 17 0 NONE 52
CONECT 17 16 18 30 0 NONE 53
CONECT 18 17 19 31 0 NONE 54
CONECT 19 18 20 32 0 NONE 55
CONECT 20 19 16 0 0 NONE 56
CONECT 21 2 0 0 0 NONE 57
END</inlineContents>
</jmolApplet>
</jmol>

It:Furosemide

2006-10-26T14:02:10Z

Sl1405: 2d structure

[[Image:furosemide.png]]

File:Furosemide.png

2006-10-26T14:01:25Z

Sl1405:

It:projects

2006-10-26T13:58:05Z

Sl1405: /* Supplemental Project Page */

__FORCETOC__

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! bgcolor="cyan" |Project<br /> Number
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|-
| bgcolor="#CCFF00" |01
| bgcolor="#CCFF00" | [[it:Lignocaine|Lignocaine (used in dentistry as a "local")]]
|-
| bgcolor="#CCFF00" |02
| bgcolor="#66FF99" | [[it:Piperine|Piperine (active ingredient of both black and white pepper)]]
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|-
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|-
| bgcolor="#CCFF00" |07
| bgcolor="#CCFF00" | [[it:Gingerone|Zingerone (the characteristic smell of ginger)]]
|-
| bgcolor="#CCFF00" |08
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|-
| bgcolor="#CCFF00" |09
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|-
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| bgcolor="#66FF99" | [[it:Roaccutane|Roaccutane (treatment for severe acne)]]
|-
| bgcolor="#CCFF00" |11
| bgcolor="#CCFF00" | [[it:Sibutramine|Sibutramine (appetite suppresor)]]
|-
| bgcolor="#CCFF00" |12
| bgcolor="#66FF99" | [[it:Anandamide|Anandamide (the "feel-good" factor in chocolate)]]
|-
| bgcolor="#CCFF00" |13
| bgcolor="#CCFF00" | [[it:h3nbh3|Ammonia-borane: H<sub>3</sub>N-BH<sub>3</sub> (Hydrogen storage molecule?)]]
|-
| bgcolor="#CCFF00" |14
| bgcolor="#66FF99" | [[it:Methoxsalen|Methoxsalen (Treatment of psoriasis)]]
|-
| bgcolor="#CCFF00" |15
| bgcolor="#CCFF00" | [[it:Hycocine|Hyoscine (From Mandrake and Witches Henbane, pre-med before surgery)]]
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| bgcolor="#CCFF00" |16
| bgcolor="#66FF99" | [[it:Capreomycin|Capreomycin (Drug-resistant TB)]]
|-
| bgcolor="#CCFF00" |17
| bgcolor="#CCFF00" | [[it:wilkinson|Wilkinson's catalyst]]
|-
| bgcolor="#CCFF00" |18
| bgcolor="#66FF99" | [[it:Jacobsen|Jacobsen's epoxidation catalyst]]
|-
| bgcolor="#CCFF00" |19
| bgcolor="#CCFF00" | [[it:Methylaluminoxane|Methylaluminoxane: MAO - hugely important ethylene polymerisation cocatalyst]]
|-
| bgcolor="#CCFF00" |20
| bgcolor="#66FF99" | [[it:Schwartz|Schwartz reagent for the hydrozirconation of alkenes and alkynes]]
|}

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then add an entry below as follows

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----
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*[[it:Retinal|Retinal, molecule of sight]]
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*[[it:Serotonin|Serotonin, The 'HAPPY' Drug]]
*[[it:Amphidinolide T1|Amphidinolide T1]]
*[[it:Rosiglitazone|Rosiglitazone, drug that is currently used to treat diabetes.]]
*[[it:Furosemide|Furosemide]]

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----
[[Template:Chem-Data]]

It:Rosiglitazone

2006-10-26T13:34:57Z

Sl1405: avandia paragraph

==Introduction==
[[Image:Rosiglitazone.png|frame|Structure of Rosiglitazone (note: the carbon in the 5-membered ring between the carbonyl carbon and the sulfur atom is a stereocentre]]

Rosiglitazone can be used to treat ''diabetes mellitus''. Insulin is made naturally in the Islets of Langerhans in the pancreas. However, sometimes the pancreas does not make enough insulin to meet its needs which results in the condition known as diabetes mellitus. Rosiglitazone works by making the body more sensitive to insulin, so that insuline can be used more effectively.
High blood sugar can lead to other complications such as kidney failure, heart disease and blindness.

==Avandia==

Rosiglitazone is sold commercially as AVANDIA, as Rosiglitazone maleate. AVANDIA is a registered trademark of GlaxoSmithKline. When taking the medicine, it is important to exercise and lose excess weight so that the drug can work efficiently. The usual safety precautions apply when taking AVANDIA i.e. do not take when pregnant or trying to become pregnant or have had heart problems. AVANDIA should not be taken if a patient has or has had previously Type I diabetes. The safety of AVANDIA is unknown for people under 18 years old.

==3D structure of Rosiglitazone==

<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 26-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 26-Oct-06 0 NONE 4
ATOM 1 O 0 6.147 -2.378 -0.897 0.00 0.00 O+0
ATOM 2 C 0 5.578 -1.314 -0.746 0.00 0.00 C+0
ATOM 3 N 0 6.125 -0.090 -0.630 0.00 0.00 N+0
ATOM 4 C 0 5.412 1.012 -0.468 0.00 0.00 C+0
ATOM 5 O 0 5.924 2.106 -0.366 0.00 0.00 O+0
ATOM 6 S 0 3.821 -1.011 -0.634 0.00 0.00 S+0
ATOM 7 C 0 3.904 0.812 -0.418 0.00 0.00 C+0
ATOM 8 C 0 3.323 1.239 0.931 0.00 0.00 C+0
ATOM 9 C 0 1.843 0.955 0.953 0.00 0.00 C+0
ATOM 10 C 0 1.382 -0.268 1.403 0.00 0.00 C+0
ATOM 11 C 0 0.026 -0.531 1.425 0.00 0.00 C+0
ATOM 12 C 0 0.948 1.920 0.529 0.00 0.00 C+0
ATOM 13 C 0 -0.409 1.662 0.549 0.00 0.00 C+0
ATOM 14 C 0 -0.874 0.433 0.994 0.00 0.00 C+0
ATOM 15 O 0 -2.208 0.177 1.015 0.00 0.00 O+0
ATOM 16 C 0 -2.366 -1.152 1.517 0.00 0.00 C+0
ATOM 17 C 0 -3.854 -1.505 1.566 0.00 0.00 C+0
ATOM 18 N 0 -4.393 -1.538 0.205 0.00 0.00 N+0
ATOM 19 C 0 -4.373 -2.787 -0.561 0.00 0.00 C+0
ATOM 20 C 0 -4.924 -0.384 -0.361 0.00 0.00 C+0
ATOM 21 C 0 -4.846 0.821 0.329 0.00 0.00 C+0
ATOM 22 C 0 -5.378 1.961 -0.245 0.00 0.00 C+0
ATOM 23 C 0 -5.972 1.857 -1.496 0.00 0.00 C+0
ATOM 24 C 0 -6.015 0.629 -2.125 0.00 0.00 C+0
ATOM 25 N 0 -5.495 -0.441 -1.555 0.00 0.00 N+0
ATOM 26 H 0 7.091 -0.011 -0.668 0.00 0.00 H+0
ATOM 27 H 0 3.413 1.331 -1.241 0.00 0.00 H+0
ATOM 28 H 0 3.812 0.683 1.730 0.00 0.00 H+0
ATOM 29 H 0 3.490 2.307 1.077 0.00 0.00 H+0
ATOM 30 H 0 2.082 -1.019 1.738 0.00 0.00 H+0
ATOM 31 H 0 -0.334 -1.487 1.776 0.00 0.00 H+0
ATOM 32 H 0 1.311 2.876 0.182 0.00 0.00 H+0
ATOM 33 H 0 -1.107 2.416 0.218 0.00 0.00 H+0
ATOM 34 H 0 -1.848 -1.851 0.861 0.00 0.00 H+0
ATOM 35 H 0 -1.944 -1.214 2.520 0.00 0.00 H+0
ATOM 36 H 0 -3.980 -2.483 2.031 0.00 0.00 H+0
ATOM 37 H 0 -4.386 -0.754 2.150 0.00 0.00 H+0
ATOM 38 H 0 -3.923 -3.575 0.042 0.00 0.00 H+0
ATOM 39 H 0 -5.393 -3.068 -0.825 0.00 0.00 H+0
ATOM 40 H 0 -3.789 -2.646 -1.470 0.00 0.00 H+0
ATOM 41 H 0 -4.377 0.865 1.301 0.00 0.00 H+0
ATOM 42 H 0 -5.332 2.910 0.267 0.00 0.00 H+0
ATOM 43 H 0 -6.397 2.729 -1.972 0.00 0.00 H+0
ATOM 44 H 0 -6.476 0.544 -3.097 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 49
CONECT 2 1 3 6 0 NONE 50
CONECT 3 2 4 26 0 NONE 51
CONECT 4 3 7 5 0 NONE 52
CONECT 5 4 0 0 0 NONE 53
CONECT 6 2 7 0 0 NONE 54
CONECT 7 6 4 8 27 NONE 55
CONECT 8 7 9 28 29 NONE 56
CONECT 9 8 10 12 0 NONE 57
CONECT 10 9 11 30 0 NONE 58
CONECT 11 10 14 31 0 NONE 59
CONECT 12 9 13 32 0 NONE 60
CONECT 13 12 14 33 0 NONE 61
CONECT 14 13 11 15 0 NONE 62
CONECT 15 14 16 0 0 NONE 63
CONECT 16 15 17 34 35 NONE 64
CONECT 17 16 18 36 37 NONE 65
CONECT 18 17 19 20 0 NONE 66
CONECT 19 18 38 39 40 NONE 67
CONECT 20 18 25 21 0 NONE 68
CONECT 21 20 22 41 0 NONE 69
CONECT 22 21 23 42 0 NONE 70
CONECT 23 22 24 43 0 NONE 71
CONECT 24 23 25 44 0 NONE 72
CONECT 25 24 20 0 0 NONE 73
END</inlineContents>
</jmolApplet>
</jmol>

(Obtained using a SMILES string created in Chemdraw and inserting into CORINA website)

==Chemical Information==

{| border="1"
! Chemical Formula
| C<sub>18</sub>H<sub>19</sub>N<sub>3</sub>O<sub>3</sub>S
|-
! IUPAC Name
|(5S)-5-[[4-[2-(methyl-pyridin-2-yl-amino)ethoxy]phenyl]methyl]thiazolidine- 2,4-dione
|-
! Other Names
| 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]- (9CI), 5-[4-[2-(N-Methyl-N-(2-pyridyl)amino)ethoxy]benzyl]thiazolidine-2,4-dione; 5-[[4-[2-[N-Methyl-N-(2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione; BRL 49653; Rosiglitazone; Rosiglizole; TDZ 01
|-
! Molecular Weight
|357.43
|-
! Elemental Analysis
|C, 60.49; H, 5.36; N, 11.76; O, 13.43; S, 8.97
|-
! pKa
|6.48+/- 0.12
|-
! Melting Point
| 122.0-123.0<sup>o</sup>C
|-
! Boiling Point
| 585.0-590.0<sup>o</sup>C
|-
! Density
|1.315+/- 0.06 gcm<sup>-3</sup>
|-
! Enthalpy of Vaporisation
|87.40+/- 3.0 kJmol<sup>-1</sup>
|-
! Flash Point
|307.6+/- 25.9 <sup>o</sup>C
|-
! SMILES
|O=C(NC3=O)SC3CC(C=C2)=CC=C2OCCN(C)C1=CC=CC=N1
|-
!MSDS
|[http://redpoll.pharmacy.ualberta.ca/drugbank/drugBank/drugFile/msds/APRD00403.pdf MSDS]
|}

==References==

*[http://www.patient.co.uk/showdoc/30003760/ Patient UK]
*[http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=APRD00403.txt DrugBank]

It:Rosiglitazone

2006-10-26T13:14:03Z

Sl1405: MSDS

==Introduction==
[[Image:Rosiglitazone.png|frame|Structure of Rosiglitazone (note: the carbon in the 5-membered ring between the carbonyl carbon and the sulfur atom is a stereocentre]]

Rosiglitazone can be used to treat ''diabetes mellitus''. Insulin is made naturally in the Islets of Langerhans in the pancreas. However, sometimes the pancreas does not make enough insulin to meet its needs which results in the condition known as diabetes mellitus. Rosiglitazone works by making the body more sensitive to insulin, so that insuline can be used more effectively.

==3D structure of Rosiglitazone==

<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 26-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 26-Oct-06 0 NONE 4
ATOM 1 O 0 6.147 -2.378 -0.897 0.00 0.00 O+0
ATOM 2 C 0 5.578 -1.314 -0.746 0.00 0.00 C+0
ATOM 3 N 0 6.125 -0.090 -0.630 0.00 0.00 N+0
ATOM 4 C 0 5.412 1.012 -0.468 0.00 0.00 C+0
ATOM 5 O 0 5.924 2.106 -0.366 0.00 0.00 O+0
ATOM 6 S 0 3.821 -1.011 -0.634 0.00 0.00 S+0
ATOM 7 C 0 3.904 0.812 -0.418 0.00 0.00 C+0
ATOM 8 C 0 3.323 1.239 0.931 0.00 0.00 C+0
ATOM 9 C 0 1.843 0.955 0.953 0.00 0.00 C+0
ATOM 10 C 0 1.382 -0.268 1.403 0.00 0.00 C+0
ATOM 11 C 0 0.026 -0.531 1.425 0.00 0.00 C+0
ATOM 12 C 0 0.948 1.920 0.529 0.00 0.00 C+0
ATOM 13 C 0 -0.409 1.662 0.549 0.00 0.00 C+0
ATOM 14 C 0 -0.874 0.433 0.994 0.00 0.00 C+0
ATOM 15 O 0 -2.208 0.177 1.015 0.00 0.00 O+0
ATOM 16 C 0 -2.366 -1.152 1.517 0.00 0.00 C+0
ATOM 17 C 0 -3.854 -1.505 1.566 0.00 0.00 C+0
ATOM 18 N 0 -4.393 -1.538 0.205 0.00 0.00 N+0
ATOM 19 C 0 -4.373 -2.787 -0.561 0.00 0.00 C+0
ATOM 20 C 0 -4.924 -0.384 -0.361 0.00 0.00 C+0
ATOM 21 C 0 -4.846 0.821 0.329 0.00 0.00 C+0
ATOM 22 C 0 -5.378 1.961 -0.245 0.00 0.00 C+0
ATOM 23 C 0 -5.972 1.857 -1.496 0.00 0.00 C+0
ATOM 24 C 0 -6.015 0.629 -2.125 0.00 0.00 C+0
ATOM 25 N 0 -5.495 -0.441 -1.555 0.00 0.00 N+0
ATOM 26 H 0 7.091 -0.011 -0.668 0.00 0.00 H+0
ATOM 27 H 0 3.413 1.331 -1.241 0.00 0.00 H+0
ATOM 28 H 0 3.812 0.683 1.730 0.00 0.00 H+0
ATOM 29 H 0 3.490 2.307 1.077 0.00 0.00 H+0
ATOM 30 H 0 2.082 -1.019 1.738 0.00 0.00 H+0
ATOM 31 H 0 -0.334 -1.487 1.776 0.00 0.00 H+0
ATOM 32 H 0 1.311 2.876 0.182 0.00 0.00 H+0
ATOM 33 H 0 -1.107 2.416 0.218 0.00 0.00 H+0
ATOM 34 H 0 -1.848 -1.851 0.861 0.00 0.00 H+0
ATOM 35 H 0 -1.944 -1.214 2.520 0.00 0.00 H+0
ATOM 36 H 0 -3.980 -2.483 2.031 0.00 0.00 H+0
ATOM 37 H 0 -4.386 -0.754 2.150 0.00 0.00 H+0
ATOM 38 H 0 -3.923 -3.575 0.042 0.00 0.00 H+0
ATOM 39 H 0 -5.393 -3.068 -0.825 0.00 0.00 H+0
ATOM 40 H 0 -3.789 -2.646 -1.470 0.00 0.00 H+0
ATOM 41 H 0 -4.377 0.865 1.301 0.00 0.00 H+0
ATOM 42 H 0 -5.332 2.910 0.267 0.00 0.00 H+0
ATOM 43 H 0 -6.397 2.729 -1.972 0.00 0.00 H+0
ATOM 44 H 0 -6.476 0.544 -3.097 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 49
CONECT 2 1 3 6 0 NONE 50
CONECT 3 2 4 26 0 NONE 51
CONECT 4 3 7 5 0 NONE 52
CONECT 5 4 0 0 0 NONE 53
CONECT 6 2 7 0 0 NONE 54
CONECT 7 6 4 8 27 NONE 55
CONECT 8 7 9 28 29 NONE 56
CONECT 9 8 10 12 0 NONE 57
CONECT 10 9 11 30 0 NONE 58
CONECT 11 10 14 31 0 NONE 59
CONECT 12 9 13 32 0 NONE 60
CONECT 13 12 14 33 0 NONE 61
CONECT 14 13 11 15 0 NONE 62
CONECT 15 14 16 0 0 NONE 63
CONECT 16 15 17 34 35 NONE 64
CONECT 17 16 18 36 37 NONE 65
CONECT 18 17 19 20 0 NONE 66
CONECT 19 18 38 39 40 NONE 67
CONECT 20 18 25 21 0 NONE 68
CONECT 21 20 22 41 0 NONE 69
CONECT 22 21 23 42 0 NONE 70
CONECT 23 22 24 43 0 NONE 71
CONECT 24 23 25 44 0 NONE 72
CONECT 25 24 20 0 0 NONE 73
END</inlineContents>
</jmolApplet>
</jmol>

(Obtained using a SMILES string created in Chemdraw and inserting into CORINA website)

==Chemical Information==

{| border="1"
! Chemical Formula
| C<sub>18</sub>H<sub>19</sub>N<sub>3</sub>O<sub>3</sub>S
|-
! IUPAC Name
|(5S)-5-[[4-[2-(methyl-pyridin-2-yl-amino)ethoxy]phenyl]methyl]thiazolidine- 2,4-dione
|-
! Other Names
| 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]- (9CI), 5-[4-[2-(N-Methyl-N-(2-pyridyl)amino)ethoxy]benzyl]thiazolidine-2,4-dione; 5-[[4-[2-[N-Methyl-N-(2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione; BRL 49653; Rosiglitazone; Rosiglizole; TDZ 01
|-
! Molecular Weight
|357.43
|-
! Elemental Analysis
|C, 60.49; H, 5.36; N, 11.76; O, 13.43; S, 8.97
|-
! pKa
|6.48+/- 0.12
|-
! Melting Point
| 122.0-123.0<sup>o</sup>C
|-
! Boiling Point
| 585.0-590.0<sup>o</sup>C
|-
! Density
|1.315+/- 0.06 gcm<sup>-3</sup>
|-
! Enthalpy of Vaporisation
|87.40+/- 3.0 kJmol<sup>-1</sup>
|-
! Flash Point
|307.6+/- 25.9 <sup>o</sup>C
|-
! SMILES
|O=C(NC3=O)SC3CC(C=C2)=CC=C2OCCN(C)C1=CC=CC=N1
|-
!MSDS
|[http://redpoll.pharmacy.ualberta.ca/drugbank/drugBank/drugFile/msds/APRD00403.pdf MSDS]
|}

==References==

*[http://www.patient.co.uk/showdoc/30003760/ Patient UK]
*[http://redpoll.pharmacy.ualberta.ca/drugbank/cgi-bin/getCard.cgi?CARD=APRD00403.txt DrugBank]

It:Rosiglitazone

2006-10-26T12:49:14Z

Sl1405:

==Introduction==
[[Image:Rosiglitazone.png|frame|Structure of Rosiglitazone]]

Rosiglitazone can be used to treat ''diabetes mellitus''. Insulin is made naturally in the Islets of Langerhans in the pancreas. However, sometimes the pancreas does not make enough insulin to meet its needs which results in the condition known as diabetes mellitus. Rosiglitazone works by making the body more sensitive to insulin, so that insuline can be used more effectively.

==3D structure of Rosiglitazone==

<jmol>
<jmolApplet>
<size>300</size>
<color>black</color>
<script>zoom 100; cpk off;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 26-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 26-Oct-06 0 NONE 4
ATOM 1 O 0 6.147 -2.378 -0.897 0.00 0.00 O+0
ATOM 2 C 0 5.578 -1.314 -0.746 0.00 0.00 C+0
ATOM 3 N 0 6.125 -0.090 -0.630 0.00 0.00 N+0
ATOM 4 C 0 5.412 1.012 -0.468 0.00 0.00 C+0
ATOM 5 O 0 5.924 2.106 -0.366 0.00 0.00 O+0
ATOM 6 S 0 3.821 -1.011 -0.634 0.00 0.00 S+0
ATOM 7 C 0 3.904 0.812 -0.418 0.00 0.00 C+0
ATOM 8 C 0 3.323 1.239 0.931 0.00 0.00 C+0
ATOM 9 C 0 1.843 0.955 0.953 0.00 0.00 C+0
ATOM 10 C 0 1.382 -0.268 1.403 0.00 0.00 C+0
ATOM 11 C 0 0.026 -0.531 1.425 0.00 0.00 C+0
ATOM 12 C 0 0.948 1.920 0.529 0.00 0.00 C+0
ATOM 13 C 0 -0.409 1.662 0.549 0.00 0.00 C+0
ATOM 14 C 0 -0.874 0.433 0.994 0.00 0.00 C+0
ATOM 15 O 0 -2.208 0.177 1.015 0.00 0.00 O+0
ATOM 16 C 0 -2.366 -1.152 1.517 0.00 0.00 C+0
ATOM 17 C 0 -3.854 -1.505 1.566 0.00 0.00 C+0
ATOM 18 N 0 -4.393 -1.538 0.205 0.00 0.00 N+0
ATOM 19 C 0 -4.373 -2.787 -0.561 0.00 0.00 C+0
ATOM 20 C 0 -4.924 -0.384 -0.361 0.00 0.00 C+0
ATOM 21 C 0 -4.846 0.821 0.329 0.00 0.00 C+0
ATOM 22 C 0 -5.378 1.961 -0.245 0.00 0.00 C+0
ATOM 23 C 0 -5.972 1.857 -1.496 0.00 0.00 C+0
ATOM 24 C 0 -6.015 0.629 -2.125 0.00 0.00 C+0
ATOM 25 N 0 -5.495 -0.441 -1.555 0.00 0.00 N+0
ATOM 26 H 0 7.091 -0.011 -0.668 0.00 0.00 H+0
ATOM 27 H 0 3.413 1.331 -1.241 0.00 0.00 H+0
ATOM 28 H 0 3.812 0.683 1.730 0.00 0.00 H+0
ATOM 29 H 0 3.490 2.307 1.077 0.00 0.00 H+0
ATOM 30 H 0 2.082 -1.019 1.738 0.00 0.00 H+0
ATOM 31 H 0 -0.334 -1.487 1.776 0.00 0.00 H+0
ATOM 32 H 0 1.311 2.876 0.182 0.00 0.00 H+0
ATOM 33 H 0 -1.107 2.416 0.218 0.00 0.00 H+0
ATOM 34 H 0 -1.848 -1.851 0.861 0.00 0.00 H+0
ATOM 35 H 0 -1.944 -1.214 2.520 0.00 0.00 H+0
ATOM 36 H 0 -3.980 -2.483 2.031 0.00 0.00 H+0
ATOM 37 H 0 -4.386 -0.754 2.150 0.00 0.00 H+0
ATOM 38 H 0 -3.923 -3.575 0.042 0.00 0.00 H+0
ATOM 39 H 0 -5.393 -3.068 -0.825 0.00 0.00 H+0
ATOM 40 H 0 -3.789 -2.646 -1.470 0.00 0.00 H+0
ATOM 41 H 0 -4.377 0.865 1.301 0.00 0.00 H+0
ATOM 42 H 0 -5.332 2.910 0.267 0.00 0.00 H+0
ATOM 43 H 0 -6.397 2.729 -1.972 0.00 0.00 H+0
ATOM 44 H 0 -6.476 0.544 -3.097 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 49
CONECT 2 1 3 6 0 NONE 50
CONECT 3 2 4 26 0 NONE 51
CONECT 4 3 7 5 0 NONE 52
CONECT 5 4 0 0 0 NONE 53
CONECT 6 2 7 0 0 NONE 54
CONECT 7 6 4 8 27 NONE 55
CONECT 8 7 9 28 29 NONE 56
CONECT 9 8 10 12 0 NONE 57
CONECT 10 9 11 30 0 NONE 58
CONECT 11 10 14 31 0 NONE 59
CONECT 12 9 13 32 0 NONE 60
CONECT 13 12 14 33 0 NONE 61
CONECT 14 13 11 15 0 NONE 62
CONECT 15 14 16 0 0 NONE 63
CONECT 16 15 17 34 35 NONE 64
CONECT 17 16 18 36 37 NONE 65
CONECT 18 17 19 20 0 NONE 66
CONECT 19 18 38 39 40 NONE 67
CONECT 20 18 25 21 0 NONE 68
CONECT 21 20 22 41 0 NONE 69
CONECT 22 21 23 42 0 NONE 70
CONECT 23 22 24 43 0 NONE 71
CONECT 24 23 25 44 0 NONE 72
CONECT 25 24 20 0 0 NONE 73
END</inlineContents>
</jmolApplet>
</jmol>

(Obtained using a SMILES string created in Chemdraw and inserting into CORINA website)

==Chemical Information==

{| border="1"
! Chemical Formula
| C<sub>18</sub>H<sub>19</sub>N<sub>3</sub>O<sub>3</sub>S
|-
! IUPAC Name
|(5S)-5-[[4-[2-(methyl-pyridin-2-yl-amino)ethoxy]phenyl]methyl]thiazolidine- 2,4-dione
|-
! Other Names
| 2,4-Thiazolidinedione, 5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]- (9CI), 5-[4-[2-(N-Methyl-N-(2-pyridyl)amino)ethoxy]benzyl]thiazolidine-2,4-dione; 5-[[4-[2-[N-Methyl-N-(2-pyridyl)amino]ethoxy]phenyl]methyl]thiazolidine-2,4-dione; BRL 49653; Rosiglitazone; Rosiglizole; TDZ 01
|-
! Molecular Weight
|357.43
|-
! Elemental Analysis
|C, 60.49; H, 5.36; N, 11.76; O, 13.43; S, 8.97
|-
! pKa
|6.48+/- 0.12
|-
! Boiling Point
|585.0+/- 35.0<sup>o</sup>C
|-
! Density
|1.315+/- 0.06 gcm<sup>-3</sup>
|-
! Enthalpy of Vaporisation
|87.40+/- 3.0 kJmol<sup>-1</sup>
|-
! Flash Point
|307.6+/- 25.9 <sup>o</sup>C
|-
! SMILES
|O=C(NC3=O)SC3CC(C=C2)=CC=C2OCCN(C)C1=CC=CC=N1
|}

==References==

*[http://www.patient.co.uk/showdoc/30003760/ Patient UK]

2006-10-23T14:30:23Z

Sl1405:

It:Piperine

2006-10-23T13:54:30Z

Sl1405:

[[Image:piperine.gif]]
<div align="left"><br>
== '''Properties of Piperine''' ==
</div>
{| border="1"
|+
! Property !! Value !!
|-
! Molecular Formula
| C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub> ||
|-
! Molecular Weight
|285.34 amu ||
|-
! Melting Point
|131-135°C||
|}

<jmol>
<jmolApplet>
<size>325</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 O 0 3.507 -2.115 -0.157 0.00 0.00 O+0
ATOM 2 C 0 3.446 -0.904 -0.277 0.00 0.00 C+0
ATOM 3 N 0 4.578 -0.181 -0.385 0.00 0.00 N+0
ATOM 4 C 0 4.521 1.265 -0.642 0.00 0.00 C+0
ATOM 5 C 0 5.340 1.989 0.430 0.00 0.00 C+0
ATOM 6 C 0 6.757 1.412 0.460 0.00 0.00 C+0
ATOM 7 C 0 6.697 -0.074 0.821 0.00 0.00 C+0
ATOM 8 C 0 5.893 -0.821 -0.242 0.00 0.00 C+0
ATOM 9 C 0 2.187 -0.258 -0.309 0.00 0.00 C+0
ATOM 10 C 0 1.052 -0.972 -0.096 0.00 0.00 C+0
ATOM 11 C 0 -0.203 -0.328 -0.128 0.00 0.00 C+0
ATOM 12 C 0 -1.335 -1.040 0.084 0.00 0.00 C+0
ATOM 13 C 0 -2.641 -0.370 0.051 0.00 0.00 C+0
ATOM 14 C 0 -3.813 -1.104 0.270 0.00 0.00 C+0
ATOM 15 C 0 -5.039 -0.468 0.238 0.00 0.00 C+0
ATOM 16 O 0 -6.306 -0.943 0.415 0.00 0.00 O+0
ATOM 17 C 0 -7.174 0.067 -0.133 0.00 0.00 C+0
ATOM 18 O 0 -6.418 1.283 0.009 0.00 0.00 O+0
ATOM 19 C 0 -5.108 0.903 -0.013 0.00 0.00 C+0
ATOM 20 C 0 -3.945 1.631 -0.230 0.00 0.00 C+0
ATOM 21 C 0 -2.718 1.007 -0.194 0.00 0.00 C+0
ATOM 22 H 0 4.938 1.477 -1.627 0.00 0.00 H+0
ATOM 23 H 0 3.485 1.602 -0.601 0.00 0.00 H+0
ATOM 24 H 0 5.386 3.053 0.196 0.00 0.00 H+0
ATOM 25 H 0 4.870 1.850 1.403 0.00 0.00 H+0
ATOM 26 H 0 7.218 1.530 -0.520 0.00 0.00 H+0
ATOM 27 H 0 7.350 1.943 1.206 0.00 0.00 H+0
ATOM 28 H 0 7.708 -0.479 0.865 0.00 0.00 H+0
ATOM 29 H 0 6.214 -0.194 1.790 0.00 0.00 H+0
ATOM 30 H 0 5.763 -1.860 0.061 0.00 0.00 H+0
ATOM 31 H 0 6.419 -0.779 -1.195 0.00 0.00 H+0
ATOM 32 H 0 2.130 0.803 -0.502 0.00 0.00 H+0
ATOM 33 H 0 1.110 -2.033 0.097 0.00 0.00 H+0
ATOM 34 H 0 -0.260 0.733 -0.321 0.00 0.00 H+0
ATOM 35 H 0 -1.277 -2.101 0.277 0.00 0.00 H+0
ATOM 36 H 0 -3.759 -2.165 0.463 0.00 0.00 H+0
ATOM 37 H 0 -7.381 -0.135 -1.184 0.00 0.00 H+0
ATOM 38 H 0 -8.102 0.124 0.436 0.00 0.00 H+0
ATOM 39 H 0 -4.003 2.692 -0.423 0.00 0.00 H+0
ATOM 40 H 0 -1.817 1.577 -0.363 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 45
CONECT 2 1 3 9 0 NONE 46
CONECT 3 2 8 4 0 NONE 47
CONECT 4 3 5 22 23 NONE 48
CONECT 5 4 6 24 25 NONE 49
CONECT 6 5 7 26 27 NONE 50
CONECT 7 6 8 28 29 NONE 51
CONECT 8 7 3 30 31 NONE 52
CONECT 9 2 10 32 0 NONE 53
CONECT 10 9 11 33 0 NONE 54
CONECT 11 10 12 34 0 NONE 55
CONECT 12 11 13 35 0 NONE 56
CONECT 13 12 21 14 0 NONE 57
CONECT 14 13 15 36 0 NONE 58
CONECT 15 14 16 19 0 NONE 59
CONECT 16 15 17 0 0 NONE 60
CONECT 17 16 18 37 38 NONE 61
CONECT 18 17 19 0 0 NONE 62
CONECT 19 15 18 20 0 NONE 63
CONECT 20 19 21 39 0 NONE 64
CONECT 21 20 13 40 0 NONE 65
END NONE 66
</inlineContents>
</jmolApplet>
</jmol>

[[Image:mass spectrum piperine.gif|50px]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}} colspan="3" |Piperine
|-
| align="center" colspan="3" bgcolor="#ffffff" | [[Image:piperine.png|Piperine]]
|-
! {{chembox header}} colspan="3" |3D structure
|-
! {{chembox header}} colspan="3" | General
|-
| colspan="1" |[http://en.wikipedia.org/wiki/IUPAC_nomenclature Systematic name]
| colspan="2"|
|-
| colspan="1" |Auto name
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| colspan="2" |C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub>
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification SMILES]
| colspan="2" |O=C(N2CCCCC2)/C=C/C=C/C1=CC(OCO3)=C3C=C1
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| colspan="2" |285.34
|-
| colspan="1" |Appearance
| colspan="2" |
|-
|colspan="1" |Beilstein Registry number
| colspan="2" |90741
|-
| colspan="1" |[http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| colspan="2" |94-62-2, 495-91-0, 7780-20-3, 30511-76-3, 30511-77-4
|-
! {{chembox header}} colspan="3"| Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] and [http://en.wikipedia.org/wiki/Phase_%28matter%29 Phase (matter)|phase]
| colspan="2" | g/cm
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility] in [ http://en.wikipedia.org/wiki/Water_%28molecule%29 Water_(molecule)|water]
| colspan="2" |
|-
| Other solvents
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K'') 
| colspan="2" |?
|-
! {{chembox header}} colspan="3"| Structure
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| colspan="2"|
|-
| [http://en.wikipedia.org/wiki/Dipole#Molecular_dipoles Dipole moment]
| colspan="2" |? [http://en.wikipedia.org/wiki/Debye D]
|-
! {{chembox header}} colspan="3" | Hazards 
|-
| [http://en.wikipedia.org/wiki/Material_safety_data_sheet MSDS]
| colspan="2" |[[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [http://en.wikipedia.org/wiki/Worker_safety_and_health hazard]s
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/NFPA_704 NFPA 704]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Flash_point Flash point]
| colspan="2" |? °C
|-
| [http://en.wikipedia.org/wiki/Risk_and_Safety_Statements R/S statement]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/RTECS RTECS] number
| colspan="2" |
|-
! {{chembox header}} colspan="3" | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| Structure and properties
| colspan="2" |
|-
| Thermodynamic data
| colspan="2" |
|-
| Spectral data
| colspan="2" | [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} colspan="3" | Related compounds
|-
| Related compounds
| colspan="2" |
|-
| {{chembox header}} colspan="3"| <small>Except where noted otherwise, data are given for<br> materials in their [http://en.wikipedia.org/wiki/Standard_state standard state (at 25 °C, 100 kPa)]<br/>[http://en.wikipedia.org/wiki/Wikipedia:Chemical_infobox Infobox disclaimer and references]]</small>
|-
|}

It:Piperine

2006-10-23T13:50:09Z

Sl1405:

[[Image:piperine.gif]]
<div align="left"><br>
== '''Properties of Piperine''' ==
</div>
{| border="1"
|+
! Property !! Value !!
|-
! Molecular Formula
| C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub> ||
|-
! Molecular Weight
|285.34 amu ||
|-
! Melting Point
|131-135°C||
|}

<jmol>
<jmolApplet>
<size>325</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 O 0 3.507 -2.115 -0.157 0.00 0.00 O+0
ATOM 2 C 0 3.446 -0.904 -0.277 0.00 0.00 C+0
ATOM 3 N 0 4.578 -0.181 -0.385 0.00 0.00 N+0
ATOM 4 C 0 4.521 1.265 -0.642 0.00 0.00 C+0
ATOM 5 C 0 5.340 1.989 0.430 0.00 0.00 C+0
ATOM 6 C 0 6.757 1.412 0.460 0.00 0.00 C+0
ATOM 7 C 0 6.697 -0.074 0.821 0.00 0.00 C+0
ATOM 8 C 0 5.893 -0.821 -0.242 0.00 0.00 C+0
ATOM 9 C 0 2.187 -0.258 -0.309 0.00 0.00 C+0
ATOM 10 C 0 1.052 -0.972 -0.096 0.00 0.00 C+0
ATOM 11 C 0 -0.203 -0.328 -0.128 0.00 0.00 C+0
ATOM 12 C 0 -1.335 -1.040 0.084 0.00 0.00 C+0
ATOM 13 C 0 -2.641 -0.370 0.051 0.00 0.00 C+0
ATOM 14 C 0 -3.813 -1.104 0.270 0.00 0.00 C+0
ATOM 15 C 0 -5.039 -0.468 0.238 0.00 0.00 C+0
ATOM 16 O 0 -6.306 -0.943 0.415 0.00 0.00 O+0
ATOM 17 C 0 -7.174 0.067 -0.133 0.00 0.00 C+0
ATOM 18 O 0 -6.418 1.283 0.009 0.00 0.00 O+0
ATOM 19 C 0 -5.108 0.903 -0.013 0.00 0.00 C+0
ATOM 20 C 0 -3.945 1.631 -0.230 0.00 0.00 C+0
ATOM 21 C 0 -2.718 1.007 -0.194 0.00 0.00 C+0
ATOM 22 H 0 4.938 1.477 -1.627 0.00 0.00 H+0
ATOM 23 H 0 3.485 1.602 -0.601 0.00 0.00 H+0
ATOM 24 H 0 5.386 3.053 0.196 0.00 0.00 H+0
ATOM 25 H 0 4.870 1.850 1.403 0.00 0.00 H+0
ATOM 26 H 0 7.218 1.530 -0.520 0.00 0.00 H+0
ATOM 27 H 0 7.350 1.943 1.206 0.00 0.00 H+0
ATOM 28 H 0 7.708 -0.479 0.865 0.00 0.00 H+0
ATOM 29 H 0 6.214 -0.194 1.790 0.00 0.00 H+0
ATOM 30 H 0 5.763 -1.860 0.061 0.00 0.00 H+0
ATOM 31 H 0 6.419 -0.779 -1.195 0.00 0.00 H+0
ATOM 32 H 0 2.130 0.803 -0.502 0.00 0.00 H+0
ATOM 33 H 0 1.110 -2.033 0.097 0.00 0.00 H+0
ATOM 34 H 0 -0.260 0.733 -0.321 0.00 0.00 H+0
ATOM 35 H 0 -1.277 -2.101 0.277 0.00 0.00 H+0
ATOM 36 H 0 -3.759 -2.165 0.463 0.00 0.00 H+0
ATOM 37 H 0 -7.381 -0.135 -1.184 0.00 0.00 H+0
ATOM 38 H 0 -8.102 0.124 0.436 0.00 0.00 H+0
ATOM 39 H 0 -4.003 2.692 -0.423 0.00 0.00 H+0
ATOM 40 H 0 -1.817 1.577 -0.363 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 45
CONECT 2 1 3 9 0 NONE 46
CONECT 3 2 8 4 0 NONE 47
CONECT 4 3 5 22 23 NONE 48
CONECT 5 4 6 24 25 NONE 49
CONECT 6 5 7 26 27 NONE 50
CONECT 7 6 8 28 29 NONE 51
CONECT 8 7 3 30 31 NONE 52
CONECT 9 2 10 32 0 NONE 53
CONECT 10 9 11 33 0 NONE 54
CONECT 11 10 12 34 0 NONE 55
CONECT 12 11 13 35 0 NONE 56
CONECT 13 12 21 14 0 NONE 57
CONECT 14 13 15 36 0 NONE 58
CONECT 15 14 16 19 0 NONE 59
CONECT 16 15 17 0 0 NONE 60
CONECT 17 16 18 37 38 NONE 61
CONECT 18 17 19 0 0 NONE 62
CONECT 19 15 18 20 0 NONE 63
CONECT 20 19 21 39 0 NONE 64
CONECT 21 20 13 40 0 NONE 65
END NONE 66
</inlineContents>
</jmolApplet>
</jmol>

[[Image:mass spectrum piperine.gif|50px]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}} colspan="3" |Piperine
|-
| align="center" colspan="3" bgcolor="#ffffff" | [[Image:piperine.png|Piperine]]
|-
! {{chembox header}} colspan="3" |3D structure
|-
! {{chembox header}} colspan="3" | General
|-
| colspan="1" |[http://en.wikipedia.org/wiki/IUPAC_nomenclature Systematic name]
| colspan="2"|Bis(η5-cyclopentadienyl)-
zirconium(IV) chloride hydride
|-
| colspan="1" |Auto name
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| colspan="2" |C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub>
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification SMILES]
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| colspan="2" |
|-
| colspan="1" |Appearance
| colspan="2" |
|-
|colspan="1" |Beilstein Registry number
| colspan="2" |90741
|-
| colspan="1" |[http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| colspan="2" |94-62-2, 495-91-0, 7780-20-3, 30511-76-3, 30511-77-4
|-
! {{chembox header}} colspan="3"| Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] and [http://en.wikipedia.org/wiki/Phase_%28matter%29 Phase (matter)|phase]
| colspan="2" | g/cm
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility] in [ http://en.wikipedia.org/wiki/Water_%28molecule%29 Water_(molecule)|water]
| colspan="2" |
|-
| Other solvents
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K'') 
| colspan="2" |?
|-
! {{chembox header}} colspan="3"| Structure
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| colspan="2"|
|-
| [http://en.wikipedia.org/wiki/Dipole#Molecular_dipoles Dipole moment]
| colspan="2" |? [http://en.wikipedia.org/wiki/Debye D]
|-
! {{chembox header}} colspan="3" | Hazards 
|-
| [http://en.wikipedia.org/wiki/Material_safety_data_sheet MSDS]
| colspan="2" |[[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [http://en.wikipedia.org/wiki/Worker_safety_and_health hazard]s
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/NFPA_704 NFPA 704]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Flash_point Flash point]
| colspan="2" |? °C
|-
| [http://en.wikipedia.org/wiki/Risk_and_Safety_Statements R/S statement]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/RTECS RTECS] number
| colspan="2" |
|-
! {{chembox header}} colspan="3" | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| Structure and properties
| colspan="2" |
|-
| Thermodynamic data
| colspan="2" |
|-
| Spectral data
| colspan="2" | [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} colspan="3" | Related compounds
|-
| Related compounds
| colspan="2" |
|-
| {{chembox header}} colspan="3"| <small>Except where noted otherwise, data are given for<br> materials in their [http://en.wikipedia.org/wiki/Standard_state standard state (at 25 °C, 100 kPa)]<br/>[http://en.wikipedia.org/wiki/Wikipedia:Chemical_infobox Infobox disclaimer and references]]</small>
|-
|}

It:Piperine

2006-10-23T13:45:17Z

Sl1405:

[[Image:piperine.gif]]
<div align="left"><br>
== '''Properties of Piperine''' ==
</div>
{| border="1"
|+
! Property !! Value !!
|-
! Molecular Formula
| C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub> ||
|-
! Molecular Weight
|285.34 amu ||
|-
! Melting Point
|131-135°C||
|}

<jmol>
<jmolApplet>
<size>325</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 O 0 3.507 -2.115 -0.157 0.00 0.00 O+0
ATOM 2 C 0 3.446 -0.904 -0.277 0.00 0.00 C+0
ATOM 3 N 0 4.578 -0.181 -0.385 0.00 0.00 N+0
ATOM 4 C 0 4.521 1.265 -0.642 0.00 0.00 C+0
ATOM 5 C 0 5.340 1.989 0.430 0.00 0.00 C+0
ATOM 6 C 0 6.757 1.412 0.460 0.00 0.00 C+0
ATOM 7 C 0 6.697 -0.074 0.821 0.00 0.00 C+0
ATOM 8 C 0 5.893 -0.821 -0.242 0.00 0.00 C+0
ATOM 9 C 0 2.187 -0.258 -0.309 0.00 0.00 C+0
ATOM 10 C 0 1.052 -0.972 -0.096 0.00 0.00 C+0
ATOM 11 C 0 -0.203 -0.328 -0.128 0.00 0.00 C+0
ATOM 12 C 0 -1.335 -1.040 0.084 0.00 0.00 C+0
ATOM 13 C 0 -2.641 -0.370 0.051 0.00 0.00 C+0
ATOM 14 C 0 -3.813 -1.104 0.270 0.00 0.00 C+0
ATOM 15 C 0 -5.039 -0.468 0.238 0.00 0.00 C+0
ATOM 16 O 0 -6.306 -0.943 0.415 0.00 0.00 O+0
ATOM 17 C 0 -7.174 0.067 -0.133 0.00 0.00 C+0
ATOM 18 O 0 -6.418 1.283 0.009 0.00 0.00 O+0
ATOM 19 C 0 -5.108 0.903 -0.013 0.00 0.00 C+0
ATOM 20 C 0 -3.945 1.631 -0.230 0.00 0.00 C+0
ATOM 21 C 0 -2.718 1.007 -0.194 0.00 0.00 C+0
ATOM 22 H 0 4.938 1.477 -1.627 0.00 0.00 H+0
ATOM 23 H 0 3.485 1.602 -0.601 0.00 0.00 H+0
ATOM 24 H 0 5.386 3.053 0.196 0.00 0.00 H+0
ATOM 25 H 0 4.870 1.850 1.403 0.00 0.00 H+0
ATOM 26 H 0 7.218 1.530 -0.520 0.00 0.00 H+0
ATOM 27 H 0 7.350 1.943 1.206 0.00 0.00 H+0
ATOM 28 H 0 7.708 -0.479 0.865 0.00 0.00 H+0
ATOM 29 H 0 6.214 -0.194 1.790 0.00 0.00 H+0
ATOM 30 H 0 5.763 -1.860 0.061 0.00 0.00 H+0
ATOM 31 H 0 6.419 -0.779 -1.195 0.00 0.00 H+0
ATOM 32 H 0 2.130 0.803 -0.502 0.00 0.00 H+0
ATOM 33 H 0 1.110 -2.033 0.097 0.00 0.00 H+0
ATOM 34 H 0 -0.260 0.733 -0.321 0.00 0.00 H+0
ATOM 35 H 0 -1.277 -2.101 0.277 0.00 0.00 H+0
ATOM 36 H 0 -3.759 -2.165 0.463 0.00 0.00 H+0
ATOM 37 H 0 -7.381 -0.135 -1.184 0.00 0.00 H+0
ATOM 38 H 0 -8.102 0.124 0.436 0.00 0.00 H+0
ATOM 39 H 0 -4.003 2.692 -0.423 0.00 0.00 H+0
ATOM 40 H 0 -1.817 1.577 -0.363 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 45
CONECT 2 1 3 9 0 NONE 46
CONECT 3 2 8 4 0 NONE 47
CONECT 4 3 5 22 23 NONE 48
CONECT 5 4 6 24 25 NONE 49
CONECT 6 5 7 26 27 NONE 50
CONECT 7 6 8 28 29 NONE 51
CONECT 8 7 3 30 31 NONE 52
CONECT 9 2 10 32 0 NONE 53
CONECT 10 9 11 33 0 NONE 54
CONECT 11 10 12 34 0 NONE 55
CONECT 12 11 13 35 0 NONE 56
CONECT 13 12 21 14 0 NONE 57
CONECT 14 13 15 36 0 NONE 58
CONECT 15 14 16 19 0 NONE 59
CONECT 16 15 17 0 0 NONE 60
CONECT 17 16 18 37 38 NONE 61
CONECT 18 17 19 0 0 NONE 62
CONECT 19 15 18 20 0 NONE 63
CONECT 20 19 21 39 0 NONE 64
CONECT 21 20 13 40 0 NONE 65
END NONE 66
</inlineContents>
</jmolApplet>
</jmol>

[[Image:mass spectrum piperine.gif|50px]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}} colspan="3" |Piperine
|-
| align="center" colspan="3" bgcolor="#ffffff" | [[Image:piperine.png|Piperine]]
|-
! {{chembox header}} colspan="3" |3D structure
|-
! {{chembox header}} colspan="3" | General
|-
| colspan="1" |[http://en.wikipedia.org/wiki/IUPAC_nomenclature Systematic name]
| colspan="2"|Bis(η5-cyclopentadienyl)-
zirconium(IV) chloride hydride
|-
| colspan="1" |Auto name
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| colspan="2" |C<sub>10</sub>H<sub>11</sub>ClZr
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification SMILES]
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| colspan="2" |
|-
| colspan="1" |Appearance
| colspan="2" |
|-
|colspan="1" |Beilstein Registry number
| colspan="2" |90741
|-
| colspan="1" |[http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| colspan="2" |94-62-2, 495-91-0, 7780-20-3, 30511-76-3, 30511-77-4
|-
! {{chembox header}} colspan="3"| Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] and [http://en.wikipedia.org/wiki/Phase_%28matter%29 Phase (matter)|phase]
| colspan="2" | g/cm
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility] in [ http://en.wikipedia.org/wiki/Water_%28molecule%29 Water_(molecule)|water]
| colspan="2" |
|-
| Other solvents
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K'') 
| colspan="2" |?
|-
! {{chembox header}} colspan="3"| Structure
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| colspan="2"|
|-
| [http://en.wikipedia.org/wiki/Dipole#Molecular_dipoles Dipole moment]
| colspan="2" |? [http://en.wikipedia.org/wiki/Debye D]
|-
! {{chembox header}} colspan="3" | Hazards 
|-
| [http://en.wikipedia.org/wiki/Material_safety_data_sheet MSDS]
| colspan="2" |[[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [http://en.wikipedia.org/wiki/Worker_safety_and_health hazard]s
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/NFPA_704 NFPA 704]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Flash_point Flash point]
| colspan="2" |? °C
|-
| [http://en.wikipedia.org/wiki/Risk_and_Safety_Statements R/S statement]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/RTECS RTECS] number
| colspan="2" |
|-
! {{chembox header}} colspan="3" | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| Structure and properties
| colspan="2" |
|-
| Thermodynamic data
| colspan="2" |
|-
| Spectral data
| colspan="2" | [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} colspan="3" | Related compounds
|-
| Related compounds
| colspan="2" |
|-
| {{chembox header}} colspan="3"| <small>Except where noted otherwise, data are given for<br> materials in their [http://en.wikipedia.org/wiki/Standard_state standard state (at 25 °C, 100 kPa)]<br/>[http://en.wikipedia.org/wiki/Wikipedia:Chemical_infobox Infobox disclaimer and references]]</small>
|-
|}

It:Piperine

2006-10-23T13:40:50Z

Sl1405:

[[Image:piperine.gif]]
<div align="left"><br>
== '''Properties of Piperine''' ==
</div>
{| border="1"
|+
! Property !! Value !!
|-
! Molecular Formula
| C<sub>17</sub>H<sub>19</sub>NO<sub>3</sub> ||
|-
! Molecular Weight
|285.34 amu ||
|-
! Melting Point
|131-135°C||
|}

<jmol>
<jmolApplet>
<size>325</size>
<color>white</color>
<script>zoom 80; cpk on;frame 1; move 10 -20 10 0 0 0 0 0 3; delay 1;</script>
<inlineContents>HEADER NONAME 19-Oct-06 NONE 1
TITLE NONE 2
AUTHOR WWW daemon apache NONE 3
REVDAT 1 19-Oct-06 0 NONE 4
ATOM 1 O 0 3.507 -2.115 -0.157 0.00 0.00 O+0
ATOM 2 C 0 3.446 -0.904 -0.277 0.00 0.00 C+0
ATOM 3 N 0 4.578 -0.181 -0.385 0.00 0.00 N+0
ATOM 4 C 0 4.521 1.265 -0.642 0.00 0.00 C+0
ATOM 5 C 0 5.340 1.989 0.430 0.00 0.00 C+0
ATOM 6 C 0 6.757 1.412 0.460 0.00 0.00 C+0
ATOM 7 C 0 6.697 -0.074 0.821 0.00 0.00 C+0
ATOM 8 C 0 5.893 -0.821 -0.242 0.00 0.00 C+0
ATOM 9 C 0 2.187 -0.258 -0.309 0.00 0.00 C+0
ATOM 10 C 0 1.052 -0.972 -0.096 0.00 0.00 C+0
ATOM 11 C 0 -0.203 -0.328 -0.128 0.00 0.00 C+0
ATOM 12 C 0 -1.335 -1.040 0.084 0.00 0.00 C+0
ATOM 13 C 0 -2.641 -0.370 0.051 0.00 0.00 C+0
ATOM 14 C 0 -3.813 -1.104 0.270 0.00 0.00 C+0
ATOM 15 C 0 -5.039 -0.468 0.238 0.00 0.00 C+0
ATOM 16 O 0 -6.306 -0.943 0.415 0.00 0.00 O+0
ATOM 17 C 0 -7.174 0.067 -0.133 0.00 0.00 C+0
ATOM 18 O 0 -6.418 1.283 0.009 0.00 0.00 O+0
ATOM 19 C 0 -5.108 0.903 -0.013 0.00 0.00 C+0
ATOM 20 C 0 -3.945 1.631 -0.230 0.00 0.00 C+0
ATOM 21 C 0 -2.718 1.007 -0.194 0.00 0.00 C+0
ATOM 22 H 0 4.938 1.477 -1.627 0.00 0.00 H+0
ATOM 23 H 0 3.485 1.602 -0.601 0.00 0.00 H+0
ATOM 24 H 0 5.386 3.053 0.196 0.00 0.00 H+0
ATOM 25 H 0 4.870 1.850 1.403 0.00 0.00 H+0
ATOM 26 H 0 7.218 1.530 -0.520 0.00 0.00 H+0
ATOM 27 H 0 7.350 1.943 1.206 0.00 0.00 H+0
ATOM 28 H 0 7.708 -0.479 0.865 0.00 0.00 H+0
ATOM 29 H 0 6.214 -0.194 1.790 0.00 0.00 H+0
ATOM 30 H 0 5.763 -1.860 0.061 0.00 0.00 H+0
ATOM 31 H 0 6.419 -0.779 -1.195 0.00 0.00 H+0
ATOM 32 H 0 2.130 0.803 -0.502 0.00 0.00 H+0
ATOM 33 H 0 1.110 -2.033 0.097 0.00 0.00 H+0
ATOM 34 H 0 -0.260 0.733 -0.321 0.00 0.00 H+0
ATOM 35 H 0 -1.277 -2.101 0.277 0.00 0.00 H+0
ATOM 36 H 0 -3.759 -2.165 0.463 0.00 0.00 H+0
ATOM 37 H 0 -7.381 -0.135 -1.184 0.00 0.00 H+0
ATOM 38 H 0 -8.102 0.124 0.436 0.00 0.00 H+0
ATOM 39 H 0 -4.003 2.692 -0.423 0.00 0.00 H+0
ATOM 40 H 0 -1.817 1.577 -0.363 0.00 0.00 H+0
CONECT 1 2 0 0 0 NONE 45
CONECT 2 1 3 9 0 NONE 46
CONECT 3 2 8 4 0 NONE 47
CONECT 4 3 5 22 23 NONE 48
CONECT 5 4 6 24 25 NONE 49
CONECT 6 5 7 26 27 NONE 50
CONECT 7 6 8 28 29 NONE 51
CONECT 8 7 3 30 31 NONE 52
CONECT 9 2 10 32 0 NONE 53
CONECT 10 9 11 33 0 NONE 54
CONECT 11 10 12 34 0 NONE 55
CONECT 12 11 13 35 0 NONE 56
CONECT 13 12 21 14 0 NONE 57
CONECT 14 13 15 36 0 NONE 58
CONECT 15 14 16 19 0 NONE 59
CONECT 16 15 17 0 0 NONE 60
CONECT 17 16 18 37 38 NONE 61
CONECT 18 17 19 0 0 NONE 62
CONECT 19 15 18 20 0 NONE 63
CONECT 20 19 21 39 0 NONE 64
CONECT 21 20 13 40 0 NONE 65
END NONE 66
</inlineContents>
</jmolApplet>
</jmol>

[[Image:mass spectrum piperine.gif|50px]]

{| class="toccolours" border="1" style="float: right; clear: right; margin: 0 0 1em 1em; border-collapse: collapse;"
! {{chembox header}} colspan="3" |Piperine
|-
| align="center" colspan="3" bgcolor="#ffffff" | [[Image:piperine.png|Piperine]]
|-
! {{chembox header}} colspan="3" |3D structure
|-
! {{chembox header}} colspan="3" | General
|-
| colspan="1" |[http://en.wikipedia.org/wiki/IUPAC_nomenclature Systematic name]
| colspan="2"|Bis(η5-cyclopentadienyl)-
zirconium(IV) chloride hydride
|-
| colspan="1" |Auto name
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Chemical_formula Molecular formula]
| colspan="2" |C<sub>10</sub>H<sub>11</sub>ClZr
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification SMILES]
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/Molar_mass Molar mass]
| colspan="2" |
|-
| colspan="1" |Appearance
| colspan="2" |
|-
|colspan="1" |Beilstein Registry number
| colspan="2" |
|-
| colspan="1" |[http://en.wikipedia.org/wiki/CAS_registry_number CAS number]
| colspan="2" |
|-
! {{chembox header}} colspan="3"| Properties
|-
| [http://en.wikipedia.org/wiki/Density Density] and [http://en.wikipedia.org/wiki/Phase_%28matter%29 Phase (matter)|phase]
| colspan="2" | g/cm
|-
| [http://en.wikipedia.org/wiki/Solubility Solubility] in [ http://en.wikipedia.org/wiki/Water_%28molecule%29 Water_(molecule)|water]
| colspan="2" |
|-
| Other solvents
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Melting_point Melting point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Boiling_point Boiling point]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Acid_dissociation_constant Basicity] (p''K'') 
| colspan="2" |?
|-
! {{chembox header}} colspan="3"| Structure
|-
| [http://en.wikipedia.org/wiki/Crystal_structure Crystal structure] 
| colspan="2"|
|-
| [http://en.wikipedia.org/wiki/Dipole#Molecular_dipoles Dipole moment]
| colspan="2" |? [http://en.wikipedia.org/wiki/Debye D]
|-
! {{chembox header}} colspan="3" | Hazards 
|-
| [http://en.wikipedia.org/wiki/Material_safety_data_sheet MSDS]
| colspan="2" |[[{{PAGENAME}} (data page)#Material Safety Data Sheet|External MSDS]] 
|-
| Main [http://en.wikipedia.org/wiki/Worker_safety_and_health hazard]s
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/NFPA_704 NFPA 704]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/Flash_point Flash point]
| colspan="2" |? °C
|-
| [http://en.wikipedia.org/wiki/Risk_and_Safety_Statements R/S statement]
| colspan="2" |
|-
| [http://en.wikipedia.org/wiki/RTECS RTECS] number
| colspan="2" |
|-
! {{chembox header}} colspan="3" | [[{{PAGENAME}} (data page)|Supplementary data page]]
|-
| Structure and properties
| colspan="2" |
|-
| Thermodynamic data
| colspan="2" |
|-
| Spectral data
| colspan="2" | [[UV/VIS spectroscopy|UV]], [[Infrared spectroscopy|IR]], [[nuclear magnetic resonance spectroscopy|NMR]], [[Mass spectrometry|MS]]
|-
! {{chembox header}} colspan="3" | Related compounds
|-
| Related compounds
| colspan="2" |
|-
| {{chembox header}} colspan="3"| <small>Except where noted otherwise, data are given for<br> materials in their [http://en.wikipedia.org/wiki/Standard_state standard state (at 25 °C, 100 kPa)]<br/>[http://en.wikipedia.org/wiki/Wikipedia:Chemical_infobox Infobox disclaimer and references]]</small>
|-
|}

File:Piperine.png

2006-10-23T13:39:07Z

Sl1405:

It:Piperine

2006-10-23T13:31:10Z

Sl1405:

It:Piperine

2006-10-23T13:30:46Z

Sl1405:

File:Mass spectrum piperine.gif

2006-10-23T13:06:34Z

Sl1405: