Products 2410279-95-5

CAS 2410279-95-5 appears in our catalog under these names: TAUROURSODEOXYCHOLIC ACID-D4, SODIUM SAL, Tauroursodeoxycholic Acid-d4 (sodium salt), 99%, 99%, Tauroursodeoxycholate-d4 (sodium), 99.50%. Offered by: Sigma-Aldrich, Chemat, MedChemExpress. Available pack sizes: 1MG, 1 mg.

TAUROURSODEOXYCHOLIC ACID-D4, SODIUM SAL
Sigma-Aldrich
  • size: 1MG
  • Variants: 1
from 1490.00
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Tauroursodeoxycholic Acid-d4 (sodium salt), 99%, 99%
Chemat
  • size: 1mg
  • Variants: 1
from 3040.40
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Tauroursodeoxycholate-d4 (sodium), 99.50%
MedChemExpress
  • size: 1 mg
  • Variants: 1
from 937.34
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Structural formula: {0} (CAS {1})

Sodium 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-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 2410279-95-5) is a chemical compound with the molecular formula C26H44NNaO6S and a molecular weight of 525.7 g/mol. IUPAC name: sodium 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-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: IYPNVUSIMGAJFC-OICBMEOSSA-M.

Identity
Molecular formulaC26H44NNaO6S
Molecular weight525.7 g/mol
IUPAC namesodium 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-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
InChIKeyIYPNVUSIMGAJFC-OICBMEOSSA-M
SMILES[2H]C1(C[C@@]2([C@H]3CC[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)NCCS(=O)(=O)[O-])C)C)[2H].[Na+]

Computed by PubChem (NCBI)

Synonyms: Tauroursodeoxycholate-d4 (sodium), Tauroursodeoxycholic Acid-d4 (sodium salt), Tauroursodeoxycholic Acid 2,2,4,4-d4 Sodium Salt, orb2280728, orb3138238, Tauroursodeoxycholic acid-2,2,4,4-d4 sodium salt
Related forms of this compound
sodium 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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 C26H44NNaO6S
sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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 C26H44NNaO6S
sodium 2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7-dihydroxy-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 C26H44NNaO6S
Isomers (same molecular formula)
sodium 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-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 C26H44NNaO6S
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 C26H44NNaO6S
sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-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 C26H44NNaO6S