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Description: Ketoconazole (Ketoconazol; Fungoral, Nizoral, Kuric, Xolegel, Ketoderm; Extina; R-41400; R 41400), a CYP3A4 and 24A1 inhibitor and antifungal agent, is a potent and synthetic imidazole-based antifungal drug used primarily to treat fungal infections. Ketoconazole acts by inhibiting cyclosporine oxidase and testosterone 6 beta-hydroxylase with IC50 of 0.19 mM and 0.22 mM, respectively.
References: Drug Alcohol Depend. 1998 Dec 1; 53(1):67-77.; Horm Metab Res. 1992 Aug; 24(8):367-70.
Related CAS: 67914-61-8 (Deacylketoconazole); 142128-57-2 (Levoketoconazole; Normocort; 2S, 4R-Ketoconazole); 142128-59-4 (+)-Ketoconazole
Chemical Name: 1-[4-[4-[[(2R, 4S)-2-(2, 4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1, 3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
InChi Key: XMAYWYJOQHXEEK-OZXSUGGESA-N
InChi Code: 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
SMILES Code: CC(N1CCN(C2=CC=C(OC[CH]3O[C](CN4C=CN=C4)(C5=CC=C(Cl)C=C5Cl)OC3)C=C2)CC1)=O
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