neticonazole hydrochloride (CHEBI:31900)

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ChEBI Name	neticonazole hydrochloride

ChEBI ID	CHEBI:31900

Definition	A hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14α-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C17H23ClN2OS

Net Charge

Average Mass

338.897

Monoisotopic Mass

338.12196

InChI

InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;

InChIKey

HAHMABKERDVYCH-ZUQRMPMESA-N

SMILES

C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2.Cl

Roles Classification
Biological Role(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via imidazole antifungal drug ) (via conazole antifungal drug ) EC 1.14.13.70 (sterol 14alpha-demethylase) 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 EC 1.14.13.70 (sterol 14alpha-demethylase). antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. (via imidazole antifungal agent ) (via conazole antifungal agent ) ergosterol biosynthesis inhibitor Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol. (via conazole antifungal agent )

Application(s):	antifungal drug Any antifungal agent used to prevent or treat fungal infections in humans or animals. (via imidazole antifungal drug ) (via conazole antifungal drug )

ChEBI Ontology
Outgoing	neticonazole hydrochloride (CHEBI:31900) has part neticonazole(1+) (CHEBI:141384) neticonazole hydrochloride (CHEBI:31900) has role antifungal drug (CHEBI:86327) neticonazole hydrochloride (CHEBI:31900) has role EC 1.14.13.70 (sterol 14α-demethylase) inhibitor (CHEBI:77884) neticonazole hydrochloride (CHEBI:31900) is a conazole antifungal drug (CHEBI:87071) neticonazole hydrochloride (CHEBI:31900) is a hydrochloride (CHEBI:36807) neticonazole hydrochloride (CHEBI:31900) is a imidazole antifungal drug (CHEBI:87069)

IUPAC Names

1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride

1-{(E)-2-(methylthio)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride

Synonyms	Sources
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chloride	IUPAC
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochloride	IUPAC

Last Modified

24 July 2018