Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt, hydrate, 98%

cas: 345909-26-4 — see every product listed under this CAS number, including other names

Ethanesulfonic acid, 2-[[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt, hydrate, 98% (CAS 345909-26-4) is a chemical reagent available from Chemat. Available pack sizes: 250mg, 1g, 5g, 10g, 25g, 50g, 100g, 250g. Offered by: Chemat.

• 2D
• 3D

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

Source: ChEBI

Identity

Molecular formula	C26H46NNaO8S
Molecular weight	555.7 g/mol
IUPAC name	sodium;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
InChIKey	RDAJAQDLEFHVNR-NEMAEHQESA-M
SMILES	C[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)

Synonyms: sodium taurocholate monohydrate, Taurocholic acid sodium salt hydrate, Taurocholic Acid (sodium hydrate), Sodium taurocholate dihydrate, sodiumtaurocholatemonohydrate, Ursodeoxycholic Impurity 14, Taurocholic Acid sodium hydrate, orb1225235, orb1309636, Sodium taurocholate hydrate, 96%

Related forms of this compound

sodium;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 C₂₆H₄₆NNaO₈S