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Revision as of 14:29, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457003185 of page Trisulfane for the Chem/Drugbox validation project (updated: 'ChEMBL', 'CASNo').← Previous edit Revision as of 14:30, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 458437763 of page Troglitazone for the Chem/Drugbox validation project (updated: 'DrugBank', 'CAS_number').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}}
{{Chembox {{Drugbox
| Verifiedfields = changed | Verifiedfields = changed
| verifiedrevid = 456480794 | verifiedrevid = 458436759
| IUPAC_name = (''RS'')-5-(4-benzyl)thiazolidine-2,4-dione
| ImageFile = Trisulfane.png
| image = Troglitazone structure.png
| SystematicName = Trisulfane<ref>{{Cite web|title = trisulfane (CHEBI:50365)|url = https://www.ebi.ac.uk/chebi/searchId.do?chebiId=50365|work = Chemical Entities of Biological Interest (ChEBI)|publisher = European Bioinformatics Institute|accessdate = 27 September 2011|location = UK|date = 18 August 2008|at = Main}}</ref>
| width = 220px
| Section1 = {{Chembox Identifiers
| imagename = Chemical structure of troglitazone
⚫ | CASNo_Ref = {{cascite|changed|??}}
| drug_name = Troglitazone
⚫ | CASNo = <!-- blanked - oldvalue: 13845-23-3 -->

⚫ | PubChem = 166718
<!--Clinical data-->
| PubChem_Ref = {{Pubchemite|correct|Pubchem}}
| tradename =
⚫ | ChemSpiderID = 145860
| pregnancy_category =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEBI = 50365 | legal_status =
| routes_of_administration =
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}

| ChEMBL = <!-- blanked - oldvalue: 1235793 -->
<!--Pharmacokinetic data-->
⚫ | ChEMBL_Ref = {{ebicite|changed|EBI}}
| bioavailability =
| Beilstein = 3903006
| Gmelin = 25473 | protein_bound =
| SMILES = SSS | metabolism =
| elimination_half-life = 16-34 hours
| StdInChI = 1S/H2S3/c1-3-2/h1-2H

⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
<!--Identifiers-->
⚫ | StdInChIKey = KBMBVTRWEAAZEY-UHFFFAOYSA-N
⚫ | CAS_number_Ref = {{cascite|changed|??}}
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | CAS_number = <!-- blanked - oldvalue: 97322-87-7 -->
}}
| ATC_prefix = A10
| Section2 = {{Chembox Properties
| H = 2 | ATC_suffix = BG01
| S = 3 | ATC_supplemental =
⚫ | PubChem = 5591
| ExactMass = 97.931862134 g mol<sup>-1</sup>
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| LogP = 1.237
| pKa = 5.826 | DrugBank = DB00197
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pKb = 8.171
⚫ | ChemSpiderID = 5389
}}
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = I66ZZ0ZN0E
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D00395
⚫ | ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 9753
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 408

<!--Chemical data-->
| C=24 | H=27 | N=1 | O=5 | S=1
| molecular_weight = 441.541 g/mol
| smiles = O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
| InChI = 1/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
| InChIKey = GXPHKUHSUJUWKP-UHFFFAOYAV
⚫ | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
⚫ | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = GXPHKUHSUJUWKP-UHFFFAOYSA-N
}} }}

Revision as of 14:30, 10 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 458437763 of page Troglitazone with values updated to verified values.
Troglitazone
Clinical data
ATC code
Pharmacokinetic data
Elimination half-life16-34 hours
Identifiers
IUPAC name
  • (RS)-5-(4-benzyl)thiazolidine-2,4-dione
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC24H27NO5S
Molar mass441.541 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C1NC(=O)SC1Cc4ccc(OCC3(Oc2c(c(c(O)c(c2CC3)C)C)C)C)cc4
InChI
  • InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)
  • Key:GXPHKUHSUJUWKP-UHFFFAOYSA-N
  (what is this?)  (verify)