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CHEBI:59009 - piroctone

ChEBI IDCHEBI:59009
ChEBI Namepiroctone
Stars
DefinitionA cyclic hydroxamic acid that consists of 1-hydroxypyridin-2-one bearing methyl and 2,4,4-trimethylpentyl substtituents at positions 4 and 6 respectively.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC14H23NO2
Net Charge0
Average Mass237.343
Monoisotopic Mass237.17288
SMILESCc1cc(CC(C)CC(C)(C)C)n(O)c(=O)c1
InChIInChI=1S/C14H23NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5/h6,8,11,17H,7,9H2,1-5H3
InChIKeyOIQJEQLSYJSNDS-UHFFFAOYSA-N
Roles Classification
Biological Role:
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Applications:
antiseborrheic  A drug or agent applied to the skin to control seborrhea or seborrheic dermatitis.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
ChEBI Ontology
Outgoing Relation(s)
piroctone (CHEBI:59009) has role antiseborrheic (CHEBI:59010)
piroctone (CHEBI:59009) is a cyclic hydroxamic acid (CHEBI:23445)
piroctone (CHEBI:59009) is a hydroxypyridone antifungal drug (CHEBI:87130)
piroctone (CHEBI:59009) is a pyridone (CHEBI:38183)
Incoming Relation(s)
piroctone olamine (CHEBI:59008) has part piroctone (CHEBI:59009)
IUPAC Name 
1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)pyridin-2(1H)-one
INNs  Source
piroctoneKEGG DRUG
piroctonaChemIDplus
piroctonumChemIDplus
piroctoneWHO MedNet
Synonym  Source
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2(1H)-pyridoneChemIDplus
Manual XrefsDatabases
D05504KEGG DRUG
3479DrugCentral
Registry NumbersSources
Reaxys:1531677Reaxys
CAS:50650-76-5KEGG DRUG
CAS:50650-76-5ChemIDplus