EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31900 - neticonazole hydrochloride

ChEBI IDCHEBI:31900
ChEBI Nameneticonazole hydrochloride
Stars
DefinitionA 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.
Last Modified24 July 2018
DownloadsMolfile
FormulaC17H22N2OS.HCl
Net Charge0
Average Mass338.904
Monoisotopic Mass338.12196
SMILESCCCCCOc1ccccc1/C(=C\SC)n1ccnc1.Cl
InChIInChI=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+;
InChIKeyHAHMABKERDVYCH-ZUQRMPMESA-N
Roles Classification
Biological Roles:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
EC 1.14.13.70 (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 14α-demethylase).
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ergosterol biosynthesis inhibitor  Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
ergosterol biosynthesis inhibitor  Any compound that inhibits one or more steps in the pathway leading to the synthesis of ergosterol.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Applications:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazole hydrochlorideIUPAC
1-{(E)-2-(methylsulfanyl)-1-[2-(pentyloxy)phenyl]vinyl}-1H-imidazol-3-ium chlorideIUPAC
Manual XrefsDatabases
D01620KEGG DRUG
1902DrugCentral
Registry NumbersSources
Reaxys:5366849Reaxys
CAS:130773-02-3ChemIDplus
Citations