Ketoconazole-d8

For research use only. Not for therapeutic Use.

  • CAT Number: S000328
  • CAS Number: 1217706-96-1
  • Molecular Formula: C26H20D8Cl2N4O4
  • Molecular Weight: 539.48
  • Purity: ≥95%
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Ketoconazole-d8(Cat No.:S000328) is a deuterated form of ketoconazole, where eight hydrogen atoms are replaced with deuterium. Ketoconazole is an antifungal medication used primarily to treat fungal infections on the skin and within the body. The addition of deuterium increases the stability of ketoconazole, facilitating more precise pharmacokinetic and metabolic research. This isotopic labeling enables scientists to track the drug’s metabolism and distribution in the body with greater accuracy, helping to understand its mechanism of action and optimize its use.


Catalog Number S000328
CAS Number 1217706-96-1
Molecular Formula C26H20D8Cl2N4O4
Purity ≥95%
IUPAC Name 1-[2,2,3,3,5,5,6,6-octadeuterio-4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1/i10D2,11D2,12D2,13D2
InChIKey XMAYWYJOQHXEEK-BNXSEFRASA-N
SMILES CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

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