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Chemical structure of Ursodeoxycholic Acid (sodium salt)

GC45132

Ursodeoxycholic Acid (sodium salt)

Also known as sodium (4R)-4-[(3R,5S,7S,10S,13R,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]pentanoate

Ursodeoxycholic acid (Ursodeoxycholate) sodium is a secondary bile acid issued from the transformation of (cheno)deoxycholic acid by intestinal bacteria, acting as a key regulator of the intestinal barrier integrity and essential for lipid metabolism

ChemicalCAS2898-95-5MW414.6FormulaC24H39O4•Na
CAS number
2898-95-5
Molecular weight
414.6
Formula
C24H39O4•Na
Solubility
DMF： 5 mg/ml,DMSO： 10 mg/ml,Ethanol： 15 mg/ml
InChIKey
WDFRNBJHDMUMBL-CRDYQLKSSA-M
Catalogue number
GC45132
Brand
GLPBIO
Computed properties PubChem CID 23673638 · TPSA 80.6 Ų · H-bond donors 2 · H-bond acceptors 4
TPSA
80.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H](CCC(=O)[O-])[C@H]1CCC2[C@@]1(CCC3C2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]

Computed descriptors from PubChem (CID 23673638), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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