Products 345909-26-4

CAS 345909-26-4 appears in our catalog under these names: Sodium taurocholate dihydrate, 96%, Taurocholic Acid Sodium Salt Hydrate, >95% (HPLC), Taurocholic acid sodium salt hydrate/ 99.43% (existing batch purity), Sodium taurocholate hydrate, 96% , Taurocholic acid sodium salt hydrate. Offered by: Combi-blocks, TRC, TargetMol, Thermo Scientific (Alfa Aesar), Biosynth. Available pack sizes: 5g, 100g, 25g, 1g, 250mg, 10g, 50g, 250g.

Structural formula: {0} (CAS {1})

Taurocholic acid sodium salt hydrate is a bile acid taurine conjugate.

Source: ChEBI

Identity
Molecular formulaC26H46NNaO8S
Molecular weight555.7 g/mol
IUPAC namesodium;2-[[(4R)-4-[(3R,5S,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;hydrate
InChIKeyRDAJAQDLEFHVNR-NEMAEHQESA-M
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.O.[Na+]

Computed by PubChem (NCBI)