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Revision as of 19:29, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 455739478 of page A-412,997 for the Chem/Drugbox validation project (updated: '').← Previous edit Revision as of 19:29, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 466319139 of page A-41988 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|drugbox}}) 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.}}
{{Drugbox {{Drugbox
| verifiedrevid = 413287887 | verifiedrevid = 408392364
| IUPAC_name = N-(3-methylphenyl)-2-(4-pyridin-2-ylpiperidin-1-yl)acetamide | IUPAC_name = 8--5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromenopyridin-10-ol
| image = A-412,997.png | image = A-41988.png
| width = 240


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| licence_EU = | legal_status =
| pregnancy_category =
| legal_UK =
| routes_of_administration = | routes_of_administration =


<!--Pharmacokinetic data--> <!--Pharmacokinetic data-->
| bioavailability =
| metabolism = | metabolism =
| elimination_half-life = | elimination_half-life =
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<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}}
| ATC_suffix =
| CAS_number = <!-- blanked - oldvalue: 52763-30-1 -->
| PubChem = 10425450 | PubChem = 3085018
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 8600878 | ChemSpiderID = 2341998
| ChEMBL_Ref = {{ebicite|correct|EBI}} | ChEMBL_Ref = {{ebicite|correct|EBI}}
| ChEMBL = 375596 | ChEMBL = 303312


<!--Chemical data--> <!--Chemical data-->
| C=19 | H=23 | N=3 | O=1 | C=28 | H=32 | F=1 | N=1 | O=2
| molecular_weight = 309.405 g/mol | molecular_weight = 433.556 g/mol
| smiles = c3ccc(cc3C)NC(=O)CN2CCC(CC2)c1ccccn1 | smiles = c4cc(F)ccc4CCCC(C)c3cc(O)c1C=2CN(CC#C)CCC=2C(C)(C)Oc1c3
| InChI = 1/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23) | InChI = 1/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
| InChIKey = JFCDMGGMCUKHST-UHFFFAOYAU | InChIKey = UIDOJGIFVOOMLY-UHFFFAOYAY
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C19H23N3O/c1-15-5-4-6-17(13-15)21-19(23)14-22-11-8-16(9-12-22)18-7-2-3-10-20-18/h2-7,10,13,16H,8-9,11-12,14H2,1H3,(H,21,23) | StdInChI = 1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = JFCDMGGMCUKHST-UHFFFAOYSA-N | StdInChIKey = UIDOJGIFVOOMLY-UHFFFAOYSA-N
}} }}

Revision as of 19:29, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 466319139 of page A-41988 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • 8--5,5-dimethyl-2-prop-2-ynyl-3,4-dihydro-1H-chromenopyridin-10-ol
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC28H32FNO2
Molar mass433.556 g/mol g·mol
3D model (JSmol)
SMILES
  • c4cc(F)ccc4CCCC(C)c3cc(O)c1C=2CN(CC#C)CCC=2C(C)(C)Oc1c3
InChI
  • InChI=1S/C28H32FNO2/c1-5-14-30-15-13-24-23(18-30)27-25(31)16-21(17-26(27)32-28(24,3)4)19(2)7-6-8-20-9-11-22(29)12-10-20/h1,9-12,16-17,19,31H,6-8,13-15,18H2,2-4H3
  • Key:UIDOJGIFVOOMLY-UHFFFAOYSA-N
  (verify)