
Ketoconazole
(2S,4R)-ketoconazole is a cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2S,4R)-configuration. It is an enantiomer of a (2R,4S)-ketoconazole. — ChEBI
- IUPAC name
- 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
- Molecular formula
- C26H28Cl2N4O4
- Molecular weight
- 531.4 g/mol
- Exact mass
- 530.1487608 Da
- XLogP3
- 4.3
- Topological polar surface area
- 69.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 6
- Covalent units
- 1
- Defined stereocentres
- 2
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:47518
- ChEMBL:CHEMBL295698
- EPA DTXSID:DTXSID60161949
- PubMed:40976440
- PubMed:38795739
- PubMed:38734219
- PubMed:37788138
- PubMed:37077353
- PubMed:36893891
- PubMed:36653537
- PubMed:36621641
- PubMed:36374910
- PubMed:36332690
- PubMed:35478211
- PubMed:35358606
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.