Products 145022-92-0

CAS 145022-92-0 appears in our catalog under these names: Tauro-Beta-muricholic Acid Sodium Salt, >95% (HPLC), Tauro-β-muricholic acid sodium, Tauro–β–muricholic Acid (sodium salt), Tauro-β-muricholic acid sodium, TAURO-BETA-MURICHOLIC ACID, SODIUM SALT. Offered by: TRC, TargetMol, GLPBio, Biosynth, Sigma-Aldrich. Available pack sizes: 25mg, 1mg, 5mg, 500ug, 500μg, 10mg, 50mg, 25 mg.

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

Sodium 2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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 (CAS 145022-92-0) is a chemical compound with the molecular formula C26H44NNaO7S and a molecular weight of 537.7 g/mol. IUPAC name: sodium 2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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. InChIKey: NYXROOLWUZIWRB-GPHZYVDLSA-M.

Identity
Molecular formulaC26H44NNaO7S
Molecular weight537.7 g/mol
IUPAC namesodium 2-[[(4R)-4-[(3R,5R,6S,7R,8S,9S,10R,13R,14S,17R)-3,6,7-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
InChIKeyNYXROOLWUZIWRB-GPHZYVDLSA-M
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]

Computed by PubChem (NCBI)