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CHEBI:31351 - Carbenoxolone sodium

Default Structure
ChEBI IDCHEBI:31351
ChEBI NameCarbenoxolone sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC34H48O7.2Na
Net Charge0
Average Mass614.731
Monoisotopic Mass614.31954
SMILES[H][C@]12C(=O)C=C3[C@]4([H])C[C@@](C)(C(=O)[O-])CC[C@]4(C)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@]21C.[Na+].[Na+]
InChIInChI=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
InChIKeyBQENDLAVTKRQMS-SBBGFIFASA-L
ChEBI Ontology
Outgoing Relation(s)
Carbenoxolone sodium (CHEBI:31351) is a triterpenoid (CHEBI:36615)
Synonym  Source
Carbenoxolone sodiumKEGG COMPOUND
Manual XrefsDatabases
D01899KEGG DRUG
Registry NumbersSources
CAS:7421-40-1KEGG COMPOUND