Products 1351996-69-4

CAS 1351996-69-4 appears in our catalog under these names: Taurocholic Acid-d8 Sodium Salt, >95% (HPLC), Taurocholic acid-d8 (sodium), 98.83%. Offered by: TRC, MedChemExpress. Available pack sizes: 10mg, 1mg, 1 mg.

Taurocholic Acid-d8 Sodium Salt, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Taurocholic acid-d8 (sodium), 98.83%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 4197.43
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Structural formula: {0} (CAS {1})

Sodium 1,1,2,2-tetradeuterio-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate (CAS 1351996-69-4) is a chemical compound with the molecular formula C26H44NNaO7S and a molecular weight of 545.7 g/mol. IUPAC name: sodium 1,1,2,2-tetradeuterio-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate. InChIKey: JAJWGJBVLPIOOH-NOBNTUEXSA-M.

Identity
Molecular formulaC26H44NNaO7S
Molecular weight545.7 g/mol
IUPAC namesodium 1,1,2,2-tetradeuterio-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate
InChIKeyJAJWGJBVLPIOOH-NOBNTUEXSA-M
SMILES[2H]C1(C[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C([C@@H]1O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)NC([2H])([2H])C([2H])([2H])S(=O)(=O)[O-])C)O)C)[2H].[Na+]

Computed by PubChem (NCBI)

Synonyms: Taurocholic Acid-d8 Sodium Salt, Taurocholic acid-d8 (sodium)
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 C26H44NNaO7S
sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonate C26H44NNaO7S
Isomers (same molecular formula)
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 C26H44NNaO7S
sodium 2-[[(4R)-4-[(3R,5R,6S,7S,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 C26H44NNaO7S