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Revision as of 10:45, 17 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 465948585 of page AL-37350A for the Chem/Drugbox validation project (updated: 'ChEMBL').← Previous edit Revision as of 10:45, 17 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,084 edits Saving copy of the {{drugbox}} taken from revid 469716802 of page AM-087 for the Chem/Drugbox validation project (updated: 'ChEMBL').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 = 462572977 | verifiedrevid = 462653342
| IUPAC_name = (''S'')-(+)-1-(2-Aminopropyl)-8,9-dihydropyranoindole | IUPAC_name = (6aR,10aR)-3-(2-methyl-6-bromohex-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzochromen-1-ol
| image = AL-37350A_structure.png | image = AM-087.png
| width = 140 | width = 240


<!--Clinical data--> <!--Clinical data-->
| tradename = | tradename =
| pregnancy_AU =
| pregnancy_US =
| pregnancy_category =
| legal_AU =
| legal_CA =
| legal_UK =
| legal_US =
| legal_status = | legal_status =
| routes_of_administration = | routes_of_administration =


<!--Pharmacokinetic data--> <!--Pharmacokinetic data-->
| bioavailability =
| protein_bound =
| metabolism = | metabolism =
| elimination_half-life = | elimination_half-life =
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| CAS_number_Ref = {{cascite|correct|??}} | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = | CAS_number =
| ATC_prefix = | ChEMBL = 199561
| ATC_suffix = | PubChem = 10717065
| ChEMBL = 133455
| PubChem = 10331436
| IUPHAR_ligand = 160
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 8506896 | ChemSpiderID = 8892405
| InChI = 1/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
| SMILES = O2c1ccc3c(c1CCC2)c(cn3)C(N)C
| InChIKey = RJPGJHLVEUSRRA-QZTJIDSGBN
| InChI = 1/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1
| InChIKey = VVHJUSGIUWQPIT-VIFPVBQEBB
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C14H18N2O/c1-9(15)7-10-8-16-12-4-5-13-11(14(10)12)3-2-6-17-13/h4-5,8-9,16H,2-3,6-7,15H2,1H3/t9-/m0/s1 | StdInChI = 1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = VVHJUSGIUWQPIT-VIFPVBQESA-N | StdInChIKey = RJPGJHLVEUSRRA-QZTJIDSGSA-N


<!--Chemical data--> <!--Chemical data-->
| C=14 | H=18 | N=2 | O=1 | C=23 | H=33 | Br=1 | O=2
| molecular_weight = 230.305 g/mol | molecular_weight = 421.410 g/mol
| smiles = CC(N)Cc3cnc2ccc1OCCCc1c23 | smiles = CC3(C)C1CC=C(C)CC1c2c(O)cc(C(C)(C)CCCCBr)cc2O3
| melting_point =
| melting_high =
}} }}

Revision as of 10:45, 17 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 469716802 of page AM-087 with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • (6aR,10aR)-3-(2-methyl-6-bromohex-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzochromen-1-ol
PubChem CID
ChemSpider
ChEMBL
Chemical and physical data
FormulaC23H33BrO2
Molar mass421.410 g/mol g·mol
3D model (JSmol)
SMILES
  • CC3(C)C1CC=C(C)CC1c2c(O)cc(C(C)(C)CCCCBr)cc2O3
InChI
  • InChI=1S/C23H33BrO2/c1-15-8-9-18-17(12-15)21-19(25)13-16(14-20(21)26-23(18,4)5)22(2,3)10-6-7-11-24/h8,13-14,17-18,25H,6-7,9-12H2,1-5H3/t17-,18-/m1/s1
  • Key:RJPGJHLVEUSRRA-QZTJIDSGSA-N
  (verify)
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