Clotrimazole


Clotrimazole
DEDuCT identifierDED000688
Pubchem identifier2812
CAS identifier23593-75-1
IUPAC nameClotrimazole
Category based on type of supporting evidenceCategory IV
Broad category based on environmental sourceMedicine and Healthcare, Intermediates, Industry, Agriculture and Farming
Sub-category based on environmental sourceAntimicrobial, Drugs and Pharmaceuticals, Human Metabolite, Industrial Additive, Pesticide
Chemical kingdomOrganic compounds
Chemical super-classBenzenoids
Chemical classTriphenyl compounds
SMILESC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4
InChIInChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H
InChIKeyVNFPBHJOKIVQEB-UHFFFAOYSA-N

Download structure:
2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT

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