Products 2410279-96-6

CAS 2410279-96-6 appears in our catalog under these names: Taurolithocholic-2,2,4,4-D4 Acid, Taurolithocholic Acid–d4 MaxSpec® Standard, Taurolithocholic acid-d4, 98.36%. Offered by: Chemat Brand, GLPBio, MedChemExpress. Available pack sizes: on request, 100μg, 100 μg (205.03 μM * 1 mL in Methanol).

Taurolithocholic-2,2,4,4-D4 Acid
Chemat Brand
  • size: on request
  • Variants: 1
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Taurolithocholic Acid–d4 MaxSpec® Standard
GLPBio
  • size: 100μg
  • Variants: 1
from 2010.55
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Taurolithocholic acid-d4, 98.36%
MedChemExpress
  • size: 100 μg (205.03 μM * 1 mL in Methanol)
  • Variants: 1
from 2850.67
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Structural formula: {0} (CAS {1})

2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid (CAS 2410279-96-6) is a chemical compound with the molecular formula C26H45NO5S and a molecular weight of 487.7 g/mol. IUPAC name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid. InChIKey: QBYUNVOYXHFVKC-UUHPZZFPSA-N.

Identity
Molecular formulaC26H45NO5S
Molecular weight487.7 g/mol
IUPAC name2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-3-hydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid
InChIKeyQBYUNVOYXHFVKC-UUHPZZFPSA-N
SMILES[2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC[C@@H]2C([C@@H]1O)([2H])[2H])CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)O)C)C)[2H]

Computed by PubChem (NCBI)

Synonyms: Taurolithocholic acid-d4
Related forms of this compound
2-[[(4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid C26H45NO5S
2-[[(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-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]ethanesulfonic acid C26H45NO5S