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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 459645162 of page 17-N-Allylamino-17-demethoxygeldanamycin for the Chem/Drugbox validation project (updated: 'CASNo').← Previous edit Revision as of 16:51, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 470196191 of page 17-Phenylandrostenol for the Chem/Drugbox validation project (updated: '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 = 457644489 | verifiedrevid = 457644602
| IUPAC_name = (3R,5S,8R,9S,10S,13S,14S)-​10,13-​dimethyl-​17-​phenyl- 2,3,4,5,6,7,8,9,11,12,14,15-​dodecahydro-​1H-​cyclopentaphenanthren-​3-​ol
| Name=17-''N''-Allylamino-17-demethoxygeldanamycin
| image = 17-Phenylandrostenol.png
| ImageFile = 17-N-Allylamino-17-demethoxygeldanamycin.svg
| width = 200
| ImageSize =

| IUPACName = docosa-8,12,14,18,21-<br />pentaen-10-yl] carbamate
<!--Clinical data-->
| OtherNames =
| tradename =
| Section1 = {{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| InChI = 1/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1
| pregnancy_US = <!-- A / B / C / D / X -->
| InChIKey = AYUNIORJHRXIBJ-TXHRRWQRBY
| pregnancy_category =
| SMILES1 = C1C(((/C=C(/((/C=C\C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)/C)OC)OC(=O)N)\C)C)O)OC
| legal_AU = <!-- S2, S3, S4, S5, S6, S7, S8, S9 or Unscheduled-->
| legal_CA = <!-- Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL, P, POM, CD, or Class A, B, C -->
| legal_US = <!-- OTC / Rx-only / Schedule I, II, III, IV, V -->
| legal_status =
| routes_of_administration =

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

<!--Identifiers-->
⚫ | CAS_number_Ref = {{cascite|changed|??}}
⚫ | CAS_number = <!-- blanked - oldvalue: 694438-95-4 -->
| ATC_prefix =
| ATC_suffix =
| ATC_supplemental =
⚫ | PubChem = 25068278
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
⚫ | ChemSpiderID = 21475142

<!--Chemical data-->
| chemical_formula =
| C=25 | H=34 | O=1
| molecular_weight = 350.535 g/mol
| smiles = C12CC(C1CC32CC4(3CC=C4C5=CC=CC=C5)C)O
| InChI = 1/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24-,25+/m0/s1
| InChIKey = SINAMTXBCYKFDL-WBJZGETLBO
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(H,34,38)/b11-9-,18-10+,20-15+/t17-,19+,24+,25+,27-,29+/m1/s1 | StdInChI = 1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24-,25+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = AYUNIORJHRXIBJ-TXHRRWQRSA-N | StdInChIKey = SINAMTXBCYKFDL-WBJZGETLSA-N
| synonyms = (3α,5α)-17-Phenyl-androst-16-en-3-ol
⚫ | CASNo_Ref = {{cascite|changed|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 75747-14-7 -->
⚫ | PubChem = 6440175
⚫ | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 109480
⚫ | ChemSpiderID = 21106220
| SMILES = NC(=O)O1C(/C)=C/(C)(O)(OC)C(C)C\C2=C(/NCC=C)C(=O)\C=C(\NC(=O)C(\C)=C\C=C/1OC)C2=O
}}
| Section2 = {{Chembox Properties
| Formula = C<sub>31</sub>H<sub>43</sub>N<sub>3</sub>O<sub>8</sub>
| MolarMass = 585.689 g/mol
| Appearance =
| Density =
| MeltingPt =
| BoilingPt =
| Solubility =
}}
| Section7 = {{Chembox Hazards
| MainHazards =
| FlashPt =
| Autoignition =
}}
}} }}

Revision as of 16:51, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 470196191 of page 17-Phenylandrostenol with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data
Other names(3α,5α)-17-Phenyl-androst-16-en-3-ol
Identifiers
IUPAC name
  • (3R,5S,8R,9S,10S,13S,14S)-​10,13-​dimethyl-​17-​phenyl- 2,3,4,5,6,7,8,9,11,12,14,15-​dodecahydro-​1H-​cyclopentaphenanthren-​3-​ol
PubChem CID
ChemSpider
Chemical and physical data
FormulaC25H34O
Molar mass350.535 g/mol g·mol
3D model (JSmol)
SMILES
  • C12CC(C1CC32CC4(3CC=C4C5=CC=CC=C5)C)O
InChI
  • InChI=1S/C25H34O/c1-24-14-12-19(26)16-18(24)8-9-20-22-11-10-21(17-6-4-3-5-7-17)25(22,2)15-13-23(20)24/h3-7,10,18-20,22-23,26H,8-9,11-16H2,1-2H3/t18-,19+,20-,22-,23-,24-,25+/m0/s1
  • Key:SINAMTXBCYKFDL-WBJZGETLSA-N
  (what is this?)  (verify)