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CHEBI:31325 - butenafine hydrochloride

ChEBI IDCHEBI:31325
ChEBI Namebutenafine hydrochloride
Stars
DefinitionThe hydrochloride salt of butenafine. An inhibitor of squalene epoxidase, an enzyme responsible for the creation of sterols needed in fungal cell membranes, it is used for treatment of dermatological fungal infections.
Last Modified24 July 2015
DownloadsMolfile
FormulaC23H27N.HCl
Net Charge0
Average Mass353.937
Monoisotopic Mass353.19103
SMILESCN(Cc1ccc(C(C)(C)C)cc1)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C23H27N.ClH/c1-23(2,3)21-14-12-18(13-15-21)16-24(4)17-20-10-7-9-19-8-5-6-11-22(19)20;/h5-15H,16-17H2,1-4H3;1H
InChIKeyLJBSAUIFGPSHCN-UHFFFAOYSA-N
Roles Classification
Biological Roles:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
EC 1.14.13.132 (squalene monooxygenase) inhibitor  An EC 1.14.13.* (oxidoreductase acting on paired donors, incorporating 1 atom of oxygen, with NADH or NADPH as one donor) inhibitor that interferes with the action of squalene monooxygenase (EC 1.14.13.132).
Application:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
butenafine hydrochloride (CHEBI:31325) has part butenafine (CHEBI:3238)
butenafine hydrochloride (CHEBI:31325) has role antifungal drug (CHEBI:86327)
butenafine hydrochloride (CHEBI:31325) has role EC 1.14.13.132 (squalene monooxygenase) inhibitor (CHEBI:59285)
butenafine hydrochloride (CHEBI:31325) is a ammonium salt (CHEBI:47704)
butenafine hydrochloride (CHEBI:31325) is a hydrochloride (CHEBI:36807)
IUPAC Name 
1-(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanamine hydrochloride
Synonyms  Source
Butenafine hydrochlorideKEGG COMPOUND
(4-tert-butylphenyl)-N-methyl-N-(naphthalen-1-ylmethyl)methanaminium chlorideIUPAC
N-(p-tert-butylbenzyl)-N-methyl-1-naphthalenemethylamine hydrochlorideChemIDplus
butenafine HClChemIDplus
4-tert-butylbenzyl(methyl)(1-naphthalenemethyl)amine hydrochlorideChEBI
Manual XrefsDatabases
C12490KEGG COMPOUND
DB01091DrugBank
D01093KEGG DRUG
Registry NumbersSources
CAS:101827-46-7KEGG COMPOUND
CAS:101827-46-7ChemIDplus