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CHEBI:59008 - piroctone olamine

Default Structure
ChEBI IDCHEBI:59008
ChEBI Namepiroctone olamine
Stars
DefinitionAn organoammonium salt that is the ethanolamine salt of piroctone.
Last Modified12 March 2019
SubmitterSteve
DownloadsMolfile
FormulaC14H22NO2.C2H8NO
Net Charge0
Average Mass298.427
Monoisotopic Mass298.22564
SMILESCc1cc(CC(C)CC(C)(C)C)n([O-])c(=O)c1.[NH3+]CCO
InChIInChI=1S/C14H22NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11H,7,9H2,1-5H3;4H,1-3H2/q-1;/p+1
InChIKeyGHPFVSRTGHIHCD-UHFFFAOYSA-O
Wikipedia
Roles Classification
Biological Roles:
drug allergen  Any drug which causes the onset of an allergic reaction.
antifungal drug  Any antifungal agent used to prevent or treat fungal infections in humans or animals.
Applications:
drug allergen  Any drug which causes the onset of an allergic reaction.
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 olamine (CHEBI:59008) has part ethanolaminium(1+) (CHEBI:57603)
piroctone olamine (CHEBI:59008) has part piroctone (CHEBI:59009)
piroctone olamine (CHEBI:59008) has role antiseborrheic (CHEBI:59010)
piroctone olamine (CHEBI:59008) has role drug allergen (CHEBI:88188)
piroctone olamine (CHEBI:59008) is a hydroxypyridone antifungal drug (CHEBI:87130)
piroctone olamine (CHEBI:59008) is a organoammonium salt (CHEBI:46850)
IUPAC Name 
2-hydroxyethanaminium 4-methyl-2-oxo-6-(2,4,4-trimethylpentyl)pyridin-1(2H)-olate
Synonyms  Source
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol saltChemIDplus
Piroctone ethanolamine saltChemIDplus
Manual XrefsDatabases
D05505KEGG DRUG
Piroctone_olamineWikipedia
Registry NumbersSources
Reaxys:7503297Reaxys
CAS:68890-66-4KEGG DRUG
CAS:68890-66-4ChemIDplus
Citations