Ketcher 07241511162D 1   1.00000     0.00000     0

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M  END
> <ID>
CHEBI:77614

> <NAME>
terbinafine hydrochloride

> <DEFINITION>
A hydrochloride obtained by reaction of terbinafine with one molar equivalent of hydrogen chloride.

> <STAR>
3

> <SYNONYM>
terbinafine monohydrochloride; Terbinafine HCl; (E)-N-(6,6-Dimethyl-2-hepten-4-ynyl)-N-methyl-1-naphthalenemethylamine hydrochloride

> <IUPAC_NAME>
(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

> <BRAND_NAME>
Lamisil

> <FORMULA>
C21H26ClN

> <MASS>
327.89100

> <MONOISOTOPIC_MASS>
327.17538

> <CHARGE>
0

> <SMILES>
Cl.CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12

> <INCHI>
InChI=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+;

> <INCHIKEY>
BWMISRWJRUSYEX-SZKNIZGXSA-N

> <CAS_REGISTRY_NUMBER>
78628-80-5

> <REAXYS_REGISTRY_NUMBER>
5660449

> <CHEMIDPLUS>
78628-80-5

> <DRUGBANK_ACCESSION>
DB00857

> <KEGG_DRUG_ACCESSION>
D02219

> <WIKIPEDIA_ACCESSION>
Terbinafine

> <PUBMED_CITATION>
22297749; 22873754; 22923986; 23057672; 23263751; 23295582; 23333217; 23466900; 23474809; 23513554; 23525604; 23553036; 23557842; 23615773; 23718650; 23722995; 23740211; 24249898; 24270026; 24373912; 24410098; 24447130; 24490976; 24497012; 24576265

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