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Structure

5β-Cholanic acid-3α-ol N-(2-sulphoethyl)-amide sodium salt

CAS
6042-32-6
Catalog Number
ACM6042326
Category
Steroidal Compounds
Molecular Weight
505.69
Molecular Formula
C26H44NNaO5S

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Specification

Synonyms
SODIUM TAUROLITHOCHOLATE;SODIUM TAUROLITHOCHOLATE SODIUM SALT;TAUROLITHIOCHOLIC ACID SODIUM;TAUROLITHOCHOLIC ACID SODIUM SALT;5BETA-CHOLAN-24-OIC ACID N-[2-SULFOETHYL]AMIDE-3ALPHA-OL SODIUM SALT;5-BETA-CHOLANIC ACID-3-ALPHA-OL N-(2-SULPHOETHYL)-AMIDE SOD
IUPAC Name
sodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-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(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]
InChI Key
YAERYJYXPRIDTO-HRHHVWJRSA-M
Exact Mass
505.28400
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