Ketoconazole (Q4952)

From Chemical Compounds of Interest
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chemical compound
Language Label Description Also known as
English
Ketoconazole
chemical compound

    Statements

    SMILES
    CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
    0 references
    chemical formula
    C₂₆H₂₈Cl₂N₄O₄
    1 reference
    based on heuristic
    inferred from SMILES
    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
    1 reference
    based on heuristic
    inferred from SMILES
    AOP-Wiki Stressor ID
    282
    0 references
     
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