SODIUM 2-(4-{7,11-DIHYDROXY-9A,11A-DIMETHYL-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL}PENTANAMIDO)ETHANE-1-SULFONATE | CAS 1180-95-6
Catalog
SODIUM 2-(4-{7,11-DIHYDROXY-9A,11A-DIMETHYL-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL}PENTANAMIDO)ETHANE-1-SULFONATE
Catalog Id:
MM1180956
IUPAC:
TAURODEOXYCHOLICACIDSODIUMSALTHYDRATE
CAS Number:
1180-95-6
Molecular Weight:
521.69
Formula:
C26H44NNaO6S
SMILES:
[Na+].CC(CCC(=O)NCCS([O-])(=O)=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Preferred IUPAC Name:
SODIUM 2-(4-{7,11-DIHYDROXY-9A,11A-DIMETHYL-HEXADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-1-YL}PENTANAMIDO)ETHANE-1-SULFONATE
InChIKey:
InChIKey=YXHRQQJFKOHLAP-UHFFFAOYNA-M
Categories:
Aliphatic Cyclic Structures, Aromatic Heterocycles, Alcohols, Secondary Alcohols, Amides
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