CHEBI:31351 - Carbenoxolone sodium

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ChEBI Name Carbenoxolone sodium
ChEBI ID CHEBI:31351
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C34H48Na2O7
C34H48O7.2Na
Net Charge 0
Average Mass 614.722
Monoisotopic Mass 614.320
InChI InChI=1S/C34H50O7.2Na/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6;;/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40);;/q;2*+1/p-2/t21-,23-,24-,27+,30+,31-,32-,33+,34+;;/m0../s1
InChIKey BQENDLAVTKRQMS-SBBGFIFASA-L
SMILES C1C[C@@]2(C)[C@@](C(C)(C)[C@H]1OC(CCC([O-])=O)=O)([H])CC[C@@]3([C@@]2(C(=O)C=C4[C@]3(CC[C@]5(CC[C@@](C[C@@]45[H])(C([O-])=O)C)C)C)[H])C.[Na+].[Na+]
ChEBI Ontology
Outgoing Carbenoxolone sodium (CHEBI:31351) is a triterpenoid (CHEBI:36615)
Synonym Source
Carbenoxolone sodium KEGG COMPOUND
Manual Xref Database
D01899 KEGG DRUG
View more database links
Registry Number Type Source
7421-40-1 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017