Products 64936-83-0

CAS 64936-83-0 appears in our catalog under these names: Taurolithocholic Acid Sulfate Disodium Salt, >95% (HPLC), Taurolithocholic Acid 3-sulfate (sodium salt), Taurolithocholic Acid 3–sulfate (sodium salt), Taurolithocholic acid 3-sulfate disodium salt, Taurolithocholic Acid 3-sulfate (sodium salt), 98%, 98%. Offered by: TRC, TargetMol, GLPBio, Biosynth, Chemat. Available pack sizes: 100mg, 10mg, 25mg, 1mg, 5mg, 1 mg, 5 mg.

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

Disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-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 64936-83-0) is a chemical compound with the molecular formula C26H43NNa2O8S2 and a molecular weight of 607.7 g/mol. IUPAC name: disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-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: YHTVOGLKSGJIDL-RLHFEMFKSA-L.

Identity
Molecular formulaC26H43NNa2O8S2
Molecular weight607.7 g/mol
IUPAC namedisodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChIKeyYHTVOGLKSGJIDL-RLHFEMFKSA-L
SMILESC[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.[Na+].[Na+]

Computed by PubChem (NCBI)