Taurocholic Acid Sodium Salt Hydrate
Product Code
TRC-T008851
CAS Number
Product Format
Neat
Molecular Formula
C26 H44 N O7 S . Na . 2 H2 O
Molecular Weight
573.72
Product Categories
Product Type
MetaboliteAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
Taurocholic Acid Sodium Salt Hydrate
CAS Number
345909-26-4
Molecular Formula
C26 H44 N O7 S . Na . 2 H2 O
Molecular Weight
573.72
Accurate Mass
573.2947
SMILES
O.O.[Na+].C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
InChI
InChI=1S/C26H45NO7S.Na.2H2O/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);;2*1H2/q;+1;;/p-1/t15-,16?,17-,18-,19+,20+,21-,22+,24+,25+,26-;;;/m1.../s1
IUPAC
sodium;2-[[(4R)-4-[(3R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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;dihydrate
Alternate CAS Number
Anhydrous free acid: 81-24-3
Product Data
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
Purity
>95% (HPLC)