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91223

Sodium taurocholate hydrate

Synonym(s):

Taurocholic acid sodium salt

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About This Item

Empirical Formula (Hill Notation):
C26H44NNaO7S · xH2O
CAS Number:
345909-26-4
Molecular Weight:
537.68 (anhydrous basis)
Beilstein/REAXYS Number:
3901620
EC Number:
205-653-7
MDL number:
MFCD00150819
Pricing and availability is not currently available.

SMILES string

O.[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI

1S/C26H45NO7S.Na.H2O/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29;;/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34);;1H2/q;+1;/p-1/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-;;/m1../s1

Inchi Key

RDAJAQDLEFHVNR-NEMAEHQESA-M

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