clotrimazole   Click here for help

GtoPdb Ligand ID: 2330

Synonyms: Canesten® | Lotrimin®
Approved drug PDB Ligand
clotrimazole is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Clotrimazole is an anti-fungal agent.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 17.82
Molecular weight 344.11
XLogP 6.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1
Isomeric SMILES Clc1ccccc1C(n1cncc1)(c1ccccc1)c1ccccc1
InChI InChI=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
InChI Key VNFPBHJOKIVQEB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
WHO Essential Medicine WHO Essential Medicines List (EML) (22nd List, 2021). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
1-[(2-chlorophenyl)-di(phenyl)methyl]imidazole
International Nonproprietary Names Click here for help
INN number INN
2912 clotrimazole
Synonyms Click here for help
Canesten® | Lotrimin®
Database Links Click here for help
BindingDB Ligand 31774
CAS Registry No. 23593-75-1
ChEBI CHEBI:3764
ChEMBL Ligand CHEMBL104
DrugBank Ligand DB00257
DrugCentral Ligand 719
GtoPdb PubChem SID 135650114
PubChem CID 2812
RCSB PDB Ligand CL6
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Wikipedia Clotrimazole

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Tocris
Clotrimazole
Cat. No. 4096