Products 1180-95-6

CAS 1180-95-6 appears in our catalog under these names: Taurodeoxycholate sodium salt, 95%, 95%, Taurodeoxycholate sodium salt 95%, Taurodeoxycholate (sodium salt), 95%, Taurodeoxycholic Acid Sodium Salt, >95% (HPLC), Taurodeoxycholic Acid (sodium salt). Offered by: Chemat, Ambeed, Fluorochem, TRC, GLPBio. Available pack sizes: 250mg, 1g, 5g, 10g, 25g, 100g, 500g, 100mg.

Sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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 1180-95-6) is a chemical compound with the molecular formula C26H44NNaO6S and a molecular weight of 521.7 g/mol. IUPAC name: sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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: YXHRQQJFKOHLAP-FVCKGWAHSA-M.

Identity
Molecular formulaC26H44NNaO6S
Molecular weight521.7 g/mol
IUPAC namesodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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
InChIKeyYXHRQQJFKOHLAP-FVCKGWAHSA-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]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

Computed by PubChem (NCBI)