Taurochenodeoxycholate-3-sulfate
From DrugPedia: A Wikipedia for Drug discovery
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Revision as of 00:00, 15 January 2001
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Contents |
Description
General Properties
*Molecular Weight
579.77
*Molecular Formula
C26H45NO9S2
*IUPAC NAME
2-[[(4R)-4-[(3R,5R,7R,10S,13R,17R)-7-hydroxy-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
*Canonical Smiles
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OS(=O)(=O)O)C)O)C
*Isomeric Smiles
C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)O)C)O)C
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility