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Revision as of 16:50, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{chembox}} taken from revid 457645514 of page 17-Dimethylaminoethylamino-17-demethoxygeldanamycin for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:50, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 477202531 of page 17-Hydroxypregnenolone for the Chem/Drugbox validation project (updated: '').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
⚫ | verifiedrevid = 477189761
| Verifiedfields = changed
| IUPAC_name = 3β,17-dihydroxypregn-5-en-20-one
⚫ | verifiedrevid = 457644286
| image = 17-Hydroxypregnenolone.svg
|ImageFile=17-(dimethylaminoethylamino)-17-demethoxygeldanamycin.png
| image2 = 17-Hidroxipregnenolona3D.png
|ImageSize=200px

|IUPACName=docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
<!--Clinical data-->
| IUPACName_hidden = yes
| tradename =
|OtherNames=17-DMAG; Alvespimycin
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
|Section1={{Chembox Identifiers
| pregnancy_US = <!-- A / B / C / D / X -->
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| pregnancy_category =
⚫ | ChemSpiderID = 16744073
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S8 -->
| InChI = 1/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1
| legal_UK = <!-- GSL / P / POM / CD -->
| SMILES1 = C1C(((/C=C(/((/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC
| legal_US = <!-- OTC / Rx-only -->
| SMILES = C1C(((/C=C(/((/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)/C)OC)OC(=O)N)\C)C)O)OC
| legal_status =
| InChIKey = KUFRQPKVAWMTJO-LMZWQJSEBL
| routes_of_administration =

<!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism = ], ]s
| elimination_half-life =
| excretion =

<!--Identifiers-->
⚫ | CASNo_Ref = {{cascite|correct|CAS}}
⚫ | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = 387-79-1
| ATC_prefix =
| ATC_suffix =
⚫ | PubChem = 3032570
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 17215939

<!--Chemical data-->
⚫ | C=21 | H=32 | O=3
| molecular_weight = 332.48 g/mol
| smiles = CC2(O)CC13CCC4CC(O)C(=O)C4(C)3CC12C
| InChI = 1/C21H34O3/c1-4-21(24)10-8-16-14-6-5-13-11-17(22)18(23)12-19(13,2)15(14)7-9-20(16,21)3/h13-17,22,24H,4-12H2,1-3H3/t13?,14-,15+,16+,17?,19+,20+,21-/m1/s1
| InChIKey = QPLFSAZMHUAMKE-FOCOMJRBBT
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 | StdInChI = 1S/C21H34O3/c1-4-21(24)10-8-16-14-6-5-13-11-17(22)18(23)12-19(13,2)15(14)7-9-20(16,21)3/h13-17,22,24H,4-12H2,1-3H3/t13?,14-,15+,16+,17?,19+,20+,21-/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = KUFRQPKVAWMTJO-LMZWQJSESA-N | StdInChIKey = QPLFSAZMHUAMKE-FOCOMJRBSA-N
| melting_point = 268
⚫ | CASNo_Ref = {{cascite|changed|??}}
| CASNo = <!-- blanked - oldvalue: 467214-20-6 -->
⚫ | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 383824
⚫ | PubChem=5288674
}}
|Section2={{Chembox Properties
⚫ | C=32|H=48|N=4|O=8
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
|Section3={{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 16:50, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 477202531 of page 17-Hydroxypregnenolone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Pharmacokinetic data
MetabolismAdrenal, Gonads
Identifiers
IUPAC name
  • 3β,17-dihydroxypregn-5-en-20-one
CAS Number
PubChem CID
ChemSpider
Chemical and physical data
FormulaC21H32O3
Molar mass332.48 g/mol g·mol
3D model (JSmol)
Melting point268 °C (514 °F)
SMILES
  • CC2(O)CC13CCC4CC(O)C(=O)C4(C)3CC12C
InChI
  • InChI=1S/C21H34O3/c1-4-21(24)10-8-16-14-6-5-13-11-17(22)18(23)12-19(13,2)15(14)7-9-20(16,21)3/h13-17,22,24H,4-12H2,1-3H3/t13?,14-,15+,16+,17?,19+,20+,21-/m1/s1
  • Key:QPLFSAZMHUAMKE-FOCOMJRBSA-N
  (verify)