Products 66874-06-4

CAS 66874-06-4 is the registry number for 3-Sulfo-taurochenodeoxycholic Acid Disodium Salt. Offered by: TRC. Available pack sizes: 50mg.

3-Sulfo-taurochenodeoxycholic Acid Disodium Salt
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

Disodium;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 66874-06-4) is a chemical compound with the molecular formula C26H43NNa2O9S2 and a molecular weight of 623.7 g/mol. IUPAC name: disodium;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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: MIGKUVHDFNAGGB-JPIZVGCPSA-L.

Identity
Molecular formulaC26H43NNa2O9S2
Molecular weight623.7 g/mol
IUPAC namedisodium;2-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-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
InChIKeyMIGKUVHDFNAGGB-JPIZVGCPSA-L
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[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)O)C.[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: 3-Sulfo-taurochenodeoxycholic Acid Disodium Salt, 3-Sulfo-taurochenodeoxycholicAcidDisodiumSalt
Related forms of this compound
disodium;2-[[(4R)-4-[(3R,5R,7S,8R,9S,10S,13R,14S,17R)-7-hydroxy-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 C26H43NNa2O9S2
Isomers (same molecular formula)
disodium;2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-12-hydroxy-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 C26H43NNa2O9S2