Deacetyl Ketoconazole-d8

• CAT Number: R050811
• CAS Number: 1346602-18-3
• Molecular Formula: C24H26Cl2N4O3
• Molecular Weight: 497.446
• Purity: ≥95%
• Synonyms: 1-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-piperazine-d8
• Storage: -20°C
• IUPAC Name: 2,2,3,3,5,5,6,6-octadeuterio-1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
• InChI: InChI=1S/C24H26Cl2N4O3/c25-18-1-6-22(23(26)13-18)24(16-29-10-7-28-17-29)32-15-21(33-24)14-31-20-4-2-19(3-5-20)30-11-8-27-9-12-30/h1-7,10,13,17,21,27H,8-9,11-12,14-16H2/t21-,24-/m0/s1/i8D2,9D2,11D2,12D2
• InChIKey: LOUXSEJZCPKWAX-LQQCIFTLSA-N
• SMILES: C1CN(CCN1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

Deacetyl Ketoconazole-d8 is a deuterated derivative of deacetyl ketoconazole, a metabolite of the antifungal medication ketoconazole. In this compound, eight hydrogen atoms are replaced with deuterium, which enhances its utility in research, particularly in pharmacokinetic and metabolic studies. The deuterium atoms provide a stable isotopic label, allowing for more precise tracking and analysis using mass spectrometry and other analytical techniques. Deacetyl ketoconazole is of interest in studying the metabolism and breakdown of ketoconazole in the body, and the d8 version allows for more detailed and accurate examination of these processes.