econazole   Click here for help

GtoPdb Ligand ID: 2446

Synonyms: R-14827 | Spectazole®
Approved drug
econazole is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Econazole topical is an antifungal agent. The preparation of econazole specified by the INN document is a racemic mixture of an (R)- and an (S)- isomer. The structure shown here does not specify stereochemistry and represents the mixture.
Marketed formulations may contain econazole nitrate (PubChem CID 68589).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 27.05
Molecular weight 380.02
XLogP 5.46
No. Lipinski's rules broken 1
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Canonical SMILES Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1
Isomeric SMILES Clc1ccc(cc1)COC(c1ccc(cc1Cl)Cl)Cn1cncc1
InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1982))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3189 econazole
Synonyms Click here for help
R-14827 | Spectazole®
Database Links Click here for help
BindingDB Ligand 50134038
CAS Registry No. 27220-47-9
DrugBank Ligand DB01127
DrugCentral Ligand 983
GtoPdb PubChem SID 135650220
PubChem CID 3198
Search Google for chemical match using the InChIKey LEZWWPYKPKIXLL-UHFFFAOYSA-N
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Search PubMed clinical trials econazole
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UniChem Compound Search for chemical match using the InChIKey LEZWWPYKPKIXLL-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey LEZWWPYKPKIXLL-UHFFFAOYSA-N
Wikipedia Econazole