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Revision as of 16:24, 10 January 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 448000007 of page Y-23684 for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 16:25, 10 January 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{chembox}} taken from revid 470119050 of page Yamogenin for the Chem/Drugbox validation project (updated: 'CASNo').Next edit →
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{{ambox | text = This page contains a copy of the infobox ({{tl|drugbox}}) taken from revid of page ] with values updated to verified values.}} {{ambox | text = This page contains a copy of the infobox ({{tl|chembox}}) taken from revid of page ] with values updated to verified values.}}
{{Drugbox {{chembox
| Watchedfields = changed | Verifiedfields = changed
| verifiedrevid = 402884937 | verifiedrevid = 458273772
| Reference=<ref>{{PubChem|441900}}</ref>
| IUPAC_name = 2-(4-Chlorophenyl)-5,6-dihydro-benzothepinopyridazin-3(2H)-one-7-oxide
| image = Y-23684-2d-skeletal.png | ImageFile = yamogenin.png
| ImageSize = 200px

| IUPACName =
<!--Clinical data-->
| tradename = | OtherNames =
| Section1 = {{Chembox Identifiers
| pregnancy_AU = <!-- A / B1 / B2 / B3 / C / D / X -->
| pregnancy_US = <!-- A / B / C / D / X -->
| pregnancy_category =
| legal_AU = <!-- Unscheduled / S2 / S3 / S4 / S5 / S6 / S7 / S8 / S9 -->
| legal_CA = <!-- / Schedule I, II, III, IV, V, VI, VII, VIII -->
| legal_UK = <!-- GSL / P / POM / CD / 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 = <!-- blanked - oldvalue: 118288-67-8 -->
| ATC_prefix =
| ATC_suffix =
⚫ | PubChem = 195253
| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
| DrugBank =
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 169332 | ChemSpiderID = 390476

<!--Chemical data-->
| C=18 | H=13 | Cl=1 | N=2 | O=2 | S=1
| molecular_weight = 356.826 g/mol
| smiles = Clc4ccc(N1\N=C2/C(=C\C1=O)CCS(=O)c3ccccc23)cc4
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C18H13ClN2O2S/c19-13-5-7-14(8-6-13)21-17(22)11-12-9-10-24(23)16-4-2-1-3-15(16)18(12)20-21/h1-8,11H,9-10H2 | StdInChI = 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = WHMCSFWQVGJBGM-UHFFFAOYSA-N | StdInChIKey = WQLVFSAGQJTQCK-CAKNJAFZSA-N
| InChI = 1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
| InChIKey1 = WQLVFSAGQJTQCK-CAKNJAFZSA-N
| CASNo_Ref = {{cascite|changed|??}}
⚫ | CASNo = <!-- blanked - oldvalue: 512-06-1 -->
| ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 400807
⚫ | PubChem=441900
| SMILES=C1CC2((3(O2)C43(CC54CC=C65(CC(C6)O)C)C)C)OC1
}}
| Section2 = {{Chembox Properties
| Formula=C<sub>27</sub>H<sub>42</sub>O<sub>3</sub>
| MolarMass=414.62 g/mol
| Appearance=
| Density=
| MeltingPt=
| BoilingPt=
| Solubility=
}}
| Section3 = {{Chembox Hazards
| MainHazards=
| FlashPt=
| Autoignition=
}}
}} }}

Revision as of 16:25, 10 January 2012

This page contains a copy of the infobox ({{chembox}}) taken from revid 470119050 of page Yamogenin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
3D model (JSmol)
ChEMBL
ChemSpider
PubChem CID
InChI
  • InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1Key: WQLVFSAGQJTQCK-CAKNJAFZSA-N
  • InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17-,19-,20+,21-,22-,23-,24-,25-,26-,27+/m0/s1
  • Key: WQLVFSAGQJTQCK-CAKNJAFZSA-N
SMILES
  • C1CC2((3(O2)C43(CC54CC=C65(CC(C6)O)C)C)C)OC1
Properties
Chemical formula C27H42O3
Molar mass 414.62 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). ☒N verify (what is  ?) Infobox references
Tracking categories (test):
Chemical compound
  1. CID 441900 from PubChem
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