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Chemical structure of Taurodeoxycholic Acid-d4 (sodium salt)

GC19797

Taurodeoxycholic Acid-d4 (sodium salt)

Also known as 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

Taurodeoxycholic acid-d4 is intended for use as an internal standard for the quantification of taurodeoxycholic acid by GC- or LC-MS

ChemicalCAS2410279-82-0MW525.7FormulaC26H40D4NO6S • Na
CAS number
2410279-82-0
Molecular weight
525.7
Formula
C26H40D4NO6S • Na
Solubility
DMF： 25 mg/ml, DMSO： 20 mg/ml, Ethanol： 2 mg/ml
InChIKey
YXHRQQJFKOHLAP-YPYHFUETSA-M
Catalogue number
GC19797
Brand
GLPBIO
Computed properties PubChem CID 156588944 · TPSA 135 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
135 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
35

SMILES [2H]C1(C[C@]2([C@H](CC[C@@H]3[C@@H]2C[C@@H]([C@]4([C@H]3CC[C@@H]4[C@H](C)CCC(=O)NCCS(=O)(=O)[O-])C)O)C([C@@H]1O)([2H])[2H])C)[2H].[Na+]

Computed descriptors from PubChem (CID 156588944), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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