Taurochenodeoxycholate-7-sulfate
From DrugPedia: A Wikipedia for Drug discovery
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==Description== | ==Description== | ||
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affects bile flow and biliary lipids; RN refers to di-Na salt; structure given in first source | affects bile flow and biliary lipids; RN refers to di-Na salt; structure given in first source | ||
==General Properties== | ==General Properties== | ||
Revision as of 10:53, 19 February 2009
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Contents |
Description
affects bile flow and biliary lipids; RN refers to di-Na salt; structure given in first source
General Properties
*Molecular Weight
623.73
*Molecular Formula
C26H45NO9S2
*IUPAC NAME
disodium2-[[(4R)-4-[(3R,5S,7R,10S,13R,17R)-3-hydroxy-10,13-dimethyl-7-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
*Canonical Smiles
CC(CCC(=O)NCCS(=O)(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]
*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)O)C)OS(=O)(=O)[O-])C.[Na+].[Na+]
PhysioChemical Properties
*Melting Point
*LogP
*Water Solubility
