Obeticholic acid-d5

• CAT Number: S000286
• CAS Number: 1992000-80-2
• Molecular Formula: C26H39D5O4
• Molecular Weight: 425.66
• Purity: ≥95%
• IUPAC Name: (4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-6-(1,1,2,2,2-pentadeuterioethyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• InChI: InChI=1S/C26H44O4/c1-5-17-21-14-16(27)10-12-26(21,4)20-11-13-25(3)18(15(2)6-9-22(28)29)7-8-19(25)23(20)24(17)30/h15-21,23-24,27,30H,5-14H2,1-4H3,(H,28,29)/t15-,16-,17-,18-,19+,20+,21+,23+,24-,25-,26-/m1/s1/i1D3,5D2
• InChIKey: ZXERDUOLZKYMJM-QFCIBDECSA-N
• SMILES: CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCC(=O)O)C)C)O

Obeticholic acid-d5（Cat No.:S000286） is a deuterated form of obeticholic acid, where five hydrogen atoms are replaced with deuterium, enhancing its molecular stability. This makes it particularly useful as an internal standard for analytical methods like mass spectrometry and NMR spectroscopy. Obeticholic acid is a synthetic bile acid analog used primarily for the treatment of primary biliary cholangitis, a chronic liver disease. The integration of deuterium into obeticholic acid-d5 enables more precise pharmacokinetic and metabolic studies, providing clearer insights into the drug’s absorption, distribution, metabolism, and excretion processes in the body.