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Revision as of 18:45, 9 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 444133032 of page Tautomycin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'StdInChI').← Previous edit Revision as of 18:45, 9 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 457630615 of page Tazarotene for the Chem/Drugbox validation project (updated: 'DrugBank').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
| ImageFile = Tautomycin.png
| verifiedrevid = 457629611
| ImageSize =
| IUPAC_name = ethyl 6-pyridine-3-carboxylate
| IUPACName = -1,7-dioxaspiroundecan-2-yl]-3,7-dihydroxy-1-isopropyl-2-methoxy-6-methyl-5-oxo-undecyl] (3R)-3-hydroxy-3-(4-methyl-2,5-dioxo-3-furyl)propanoate
| image = Tazarotene.png
| OtherNames =

| Section1 = {{Chembox Identifiers
<!--Clinical data-->
| InChI = 1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
| tradename = Tazorac
| InChIKey1 = RFCWHQNNCOJYTR-IRCAEPKSSA-N
| Drugs.com = {{drugs.com|monograph|tazarotene}}
| InChI1 = 1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
| pregnancy_category = X <small>(])</small>
| CASNo =
| legal_status = Prescription Only
⚫ | ChEMBL = 505512
| routes_of_administration = ]
⚫ | PubChem = 440646

⚫ | ChemSpiderID = 389529
<!--Pharmacokinetic data-->
⚫ | StdInChIKey = RFCWHQNNCOJYTR-IRCAEPKSSA-N
| bioavailability =
| SMILES = O=C\1OC(=O)/C(=C/1C)(O)CC(=O)O(C(C)C)(OC)(O)CC(=O)(C)(O)CC(3O2(O((C)CC2)CC(C(=O)C)C)CC3C)C
| protein_bound = >99%
| StdInChI = 1S/C41H66O13/c1-21(2)36(51-34(47)20-31(45)35-27(8)39(48)52-40(35)49)38(50-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(54-37)17-15-23(4)33(53-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38+,41+/m0/s1
| metabolism =
}}
| elimination_half-life = 19 Hours
| Section2 = {{Chembox Properties

| Formula = C41H66O13
<!--Identifiers-->
| MolarMass = 766.95
| CASNo_Ref = {{cascite|correct|CAS}}
| Appearance =
| CAS_number_Ref = {{cascite|correct|??}}
| Density =
| CAS_number = 118292-40-3
| MeltingPt =
| BoilingPt = | ATC_prefix = D05
| ATC_suffix = AX05
| Solubility =
| ATC_supplemental =
}}
⚫ | PubChem = 5381
| Section3 = {{Chembox Hazards
| DrugBank_Ref = {{drugbankcite|changed|drugbank}}
| MainHazards =
| FlashPt = | DrugBank = DB00799
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| Autoignition =
⚫ | ChemSpiderID = 5188
}}
| UNII_Ref = {{fdacite|correct|FDA}}
| UNII = 81BDR9Y8PS
| KEGG_Ref = {{keggcite|correct|kegg}}
| KEGG = D01132
| ChEBI_Ref = {{ebicite|correct|EBI}}
| ChEBI = 32184
| ChEMBL_Ref = {{ebicite|correct|EBI}}
⚫ | ChEMBL = 1657

<!--Chemical data-->
| C=21 | H=21 | N=1 | O=2 | S=1
| molecular_weight = 351.463 g/mol
| smiles = O=C(OCC)c1ccc(nc1)C#Cc3ccc2SCCC(c2c3)(C)C
| InChI = 1/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
| InChIKey = OGQICQVSFDPSEI-UHFFFAOYAD
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
⚫ | StdInChIKey = OGQICQVSFDPSEI-UHFFFAOYSA-N
}} }}

Revision as of 18:45, 9 January 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 457630615 of page Tazarotene with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Trade namesTazorac
AHFS/Drugs.comMonograph
Pregnancy
category
Routes of
administration		Topical
ATC code
Legal status
Legal status
  • In general: ℞ (Prescription only)
Pharmacokinetic data
Protein binding>99%
Elimination half-life19 Hours
Identifiers
IUPAC name
  • ethyl 6-pyridine-3-carboxylate
CAS Number
PubChem CID
DrugBank
ChemSpider
UNII
KEGG
ChEBI
ChEMBL
Chemical and physical data
FormulaC21H21NO2S
Molar mass351.463 g/mol g·mol
3D model (JSmol)
SMILES
  • O=C(OCC)c1ccc(nc1)C#Cc3ccc2SCCC(c2c3)(C)C
InChI
  • InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3
  • Key:OGQICQVSFDPSEI-UHFFFAOYSA-N
  (what is this?)  (verify)