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CHEBI:77614 - terbinafine hydrochloride

ChEBI IDCHEBI:77614
ChEBI Nameterbinafine hydrochloride
Stars
DefinitionA hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.
Last Modified24 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H25N.HCl
Net Charge0
Average Mass327.899
Monoisotopic Mass327.17538
SMILESCN(C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12.Cl
InChIInChI=1S/C21H25N.ClH/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19;/h5-7,9-14H,16-17H2,1-4H3;1H/b9-5+;
InChIKeyBWMISRWJRUSYEX-SZKNIZGXSA-N
Wikipedia
Roles Classification
Biological Roles:
P450 inhibitor  An enzyme inhibitor that interferes with the activity of cytochrome P450 involved in catalysis of organic substances.
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).
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Application:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
terbinafine hydrochloride (CHEBI:77614) has part terbinafine(1+) (CHEBI:77615)
terbinafine hydrochloride (CHEBI:77614) has role EC 1.14.13.132 (squalene monooxygenase) inhibitor (CHEBI:59285)
terbinafine hydrochloride (CHEBI:77614) has role P450 inhibitor (CHEBI:50183)
terbinafine hydrochloride (CHEBI:77614) is a allylamine antifungal drug (CHEBI:87127)
terbinafine hydrochloride (CHEBI:77614) is a hydrochloride (CHEBI:36807)
IUPAC Names 
(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-aminium chloride
(2E)-N,6,6-trimethyl-N-(1-naphthylmethyl)hept-2-en-4-yn-1-amine hydrochloride
Synonyms  Source
Terbinafine HClChemIDplus
(E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine hydrochlorideChemIDplus
terbinafine monohydrochlorideChEBI
Brand Name  Source
LamisilKEGG DRUG
Manual XrefsDatabases
D02219KEGG DRUG
DB00857DrugBank
TerbinafineWikipedia
Registry NumbersSources
Reaxys:5660449Reaxys
CAS:78628-80-5KEGG DRUG
CAS:78628-80-5ChemIDplus
Citations