CARBENOXOLONE SODIUM
PubChem Notes:
Carbenoxolone An agent derived from licorice root. It is used for the treatment of digestive tract ulcers, especially in the stomach. Antidiuretic side effects are frequent, but otherwise the drug is low in toxicity.
Molecular Formula:
C34H48Na2O7
InChI: InChI=1/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-,23u,24-,27u,30+,31-,32-,33+,34+;;/m0../s1/fC34H48O7.2Na/q-2;2m
InChIKey: InChIKey=BQENDLAVTKRQMS-JXQLCHJQDA
SMILES: CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C.[Na+].[Na+]
Names:
CARBENOXOLONE SODIUM
disodium (2S,4aS,6aS,6bR,10S,12aS,14bR)-10-(3-carboxylatopropanoyloxy)-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylate
Registries:
PubChem CID 5702179
PubChem ID 8149788
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