CHEBI:7826 - oxiconazole nitrate

ChEBI IDCHEBI:7826
ChEBI Nameoxiconazole nitrate
Stars
DefinitionAn organic nitrate salt resulting from the reaction of equimolar amounts of oxiconazole and nitric acid. An antifungal agent, it is used in creams and powders for the topical treatment of fungal skin infections.
Last Modified23 July 2015
DownloadsMolfile
FormulaC18H13Cl4N3O.HNO3
Net Charge0
Average Mass492.146
Monoisotopic Mass489.97692
SMILESClc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
InChIInChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;
InChIKeyWVNOAGNOIPTWPT-NDUABGMUSA-N
Roles Classification
Biological Roles:
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:
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
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)
oxiconazole nitrate (CHEBI:7826) has part oxiconazole(1+) (CHEBI:77698)
oxiconazole nitrate (CHEBI:7826) has role antiinfective agent (CHEBI:35441)
oxiconazole nitrate (CHEBI:7826) is a conazole antifungal drug (CHEBI:87071)
oxiconazole nitrate (CHEBI:7826) is a imidazole antifungal drug (CHEBI:87069)
oxiconazole nitrate (CHEBI:7826) is a organic nitrate salt (CHEBI:51085)
IUPAC Name 
(1Z)-N-[(2,4-dichlorobenzyl)oxy]-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethanimine nitrate
Synonyms  Source
1-[(2Z)-2-{[(2,4-dichlorobenzyl)oxy]imino}-2-(2,4-dichlorophenyl)ethyl]-1H-imidazol-3-ium nitrateIUPAC
2',4'-dichloro-2-imidazol-1-ylacetophenone (Z)-[OO-(2,4-dichlorobenzyl)oxime] mononitrateChemIDplus
Brand Names  Source
OxistatKEGG DRUG
ST 813ChemIDplus
ST-813ChemIDplus
Ro 13-8996ChemIDplus
OceralChemIDplus
MyfungarChemIDplus
Manual XrefsDatabases
C08075KEGG COMPOUND
D00885KEGG DRUG
DB00239DrugBank
HMDB0014384HMDB
DE2657578Patent
US4124767Patent
Registry NumbersSources
Reaxys:6042368Reaxys
CAS:64211-46-7KEGG COMPOUND
CAS:64211-46-7ChemIDplus