Misplaced Pages:WikiProject Chemicals/Chembox validation/VerifiedDataSandbox

This is an old revision of this page, as edited by Beetstra (talk | contribs) at 14:48, 24 November 2011 (Saving copy of the {{drugbox}} taken from revid 456546937 of page Ouabain for the Chem/Drugbox validation project (updated: 'ChEMBL').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 14:48, 24 November 2011 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 456546937 of page Ouabain for the Chem/Drugbox validation project (updated: 'ChEMBL').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)

This page contains a copy of the infobox ({{drugbox}}) taken from revid 456546937 of page Ouabain with values updated to verified values.

WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
Clinical data

Trade names	Strodival
AHFS/Drugs.com	International Drug Names
ATC code	C01AC01 (WHO)
Identifiers
IUPAC name 1β,3β,5β,11α,14,19-Hexahydroxycard-20(22)-enolide 3-(6-deoxy-α-L-mannopyranoside) OR 4-phenanthren-17-yl]furan-2(5H)-one
CAS Number	630-60-4
PubChem CID	439501
DrugBank	DB01092
ChemSpider	388599
UNII	5ACL011P69
KEGG	D00112
ChEBI	CHEBI:472805
ChEMBL	ChEMBL222863
Chemical and physical data
Formula	C₂₉H₄₄O₁₂
Molar mass	584.652 g·mol
3D model (JSmol)	Interactive image
SMILES O=C\1OC/C(=C/1)2CC6(O)2(C)C(O)46CC5(O)C(O3O((O)(O)3O)C)C(O)45CO
InChI InChI=1S/C29H44O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,13,15-19,21-25,30-32,34-38H,3-6,8-12H2,1-2H3/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 Key:LPMXVESGRSUGHW-HBYQJFLCSA-N
(what is this?) (verify)