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Name:(2R,4R)-ketoconazole
PubChem ID:12854713
Pathway:-
InChI:InChI=1/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+/m1/s1
SMILES:CC(N1CCN(CC1)c1ccc(cc1)OC[C@@H]1(CO[C@@](Cn2ccnc2)(c2ccc(cc2Cl)Cl)O1))=O

Properties:
Formula:C26H28Cl2N4O4Atoms:37
Molecular Weight:531.431Rotatable Bonds:8
H-bond Acceptors:5H-bond Donors:0
logP:4.2087
Targets:
Synonyms:
(2R,4R)-ketoconazole
1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-
1-acetyl-4-(4-{[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
CCG-36052
CHEBI:48344
CHEMBL328863
ZINC00643143