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Revision as of 18:42, 16 February 2012 editBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 461357800 of page 7-PET for the Chem/Drugbox validation project (updated: 'CAS_number').← Previous edit Revision as of 18:42, 16 February 2012 edit undoBeetstra (talk | contribs)Edit filter managers, Administrators172,031 edits Saving copy of the {{drugbox}} taken from revid 471743035 of page 7-Spiroindanyloxymorphone 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 = 447991324 | verifiedrevid = 454432745
| IUPAC_name = (4aR-(4aα,7aα,8α,9cα))- 1',3',7,7a,8,9- Hexahydro- 3,7a-dihydroxy- 12-methylspiro (6H-8,9c- (iminoethano) phenanthro (4,5-bcd) furan- 6,2'- (2H)inden)- 5(4aH)- one
| IUPAC_name = 7-endoethenotetrahydrothebaine
| image = 7-PET_structure.png | image = 7-Spiroindanyloxymorphone.svg


<!--Clinical data--> <!--Clinical data-->
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<!--Identifiers--> <!--Identifiers-->
| CAS_number_Ref = {{cascite|correct|??}} | CAS_number_Ref = {{cascite|correct|??}}
| CAS_number = <!-- blanked - oldvalue: 13965-63-4 --> | CAS_number = <!-- blanked - oldvalue: 150380-34-0 -->
| PubChem = 203125 | PubChem = 5487084
| ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}} | ChemSpiderID_Ref = {{chemspidercite|correct|chemspider}}
| ChemSpiderID = 21106246 | ChemSpiderID = 8176808


<!--Chemical data--> <!--Chemical data-->
| C=31 | H=39 | N=1 | O=4 | C=25 | H=25 | N=1 | O=4
| molecular_weight = 487.64 g/mol | molecular_weight = 403.470 g/mol
| smiles = CN1CCC234C(=O)C5(CC6=CC=CC=C6C5)C2(1CC7=C3C(=C(C=C7)O)O4)O
| smiles = CN5CCC16c4c2OC1C3(OC)C=CC6(C5Cc4ccc2OC)CC3C(O)(C)CCc7ccccc7
| InChI = 1/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
| InChIKey = YJWDKWRVFJZBCJ-OVKCVFHGBV
| StdInChI_Ref = {{stdinchicite|correct|chemspider}} | StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C31H39NO4/c1-28(33,13-12-20-8-6-5-7-9-20)23-19-29-14-15-31(23,35-4)27-30(29)16-17-32(2)24(29)18-21-10-11-22(34-3)26(36-27)25(21)30/h5-11,23-24,27,33H,12-19H2,1-4H3/t23?,24-,27?,28?,29-,30+,31-/m1/s1 | StdInChI = 1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
| StdInChIKey_Ref = {{stdinchicite|correct|chemspider}} | StdInChIKey_Ref = {{stdinchicite|correct|chemspider}}
| StdInChIKey = CSZMZMPPNJFGRW-TZBHJBKBSA-N | StdInChIKey = YJWDKWRVFJZBCJ-OVKCVFHGSA-N
}} }}

Revision as of 18:42, 16 February 2012

This page contains a copy of the infobox ({{drugbox}}) taken from revid 471743035 of page 7-Spiroindanyloxymorphone with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Identifiers
IUPAC name
  • (4aR-(4aα,7aα,8α,9cα))- 1',3',7,7a,8,9- Hexahydro- 3,7a-dihydroxy- 12-methylspiro (6H-8,9c- (iminoethano) phenanthro (4,5-bcd) furan- 6,2'- (2H)inden)- 5(4aH)- one
PubChem CID
ChemSpider
Chemical and physical data
FormulaC25H25NO4
Molar mass403.470 g/mol g·mol
3D model (JSmol)
SMILES
  • CN1CCC234C(=O)C5(CC6=CC=CC=C6C5)C2(1CC7=C3C(=C(C=C7)O)O4)O
InChI
  • InChI=1S/C25H25NO4/c1-26-9-8-24-19-14-6-7-17(27)20(19)30-22(24)21(28)23(13-25(24,29)18(26)10-14)11-15-4-2-3-5-16(15)12-23/h2-7,18,22,27,29H,8-13H2,1H3/t18?,22-,24-,25+/m0/s1
  • Key:YJWDKWRVFJZBCJ-OVKCVFHGSA-N
  (verify)