CHEBI:59008 - piroctone olamine

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ChEBI Name piroctone olamine
ChEBI ID CHEBI:59008
Definition An organoammonium salt that is the ethanolamine salt of piroctone.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C14H23NO2.C2H7NO
C16H30N2O3
Net Charge 0
Average Mass 298.42100
Monoisotopic Mass 298.22564
InChI InChI=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
InChIKey GHPFVSRTGHIHCD-UHFFFAOYSA-O
SMILES [NH3+]CCO.CC(Cc1cc(C)cc(=O)n1[O-])CC(C)(C)C
Roles Classification
Biological Role(s): 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.
(via hydroxypyridone antifungal drug )
Application(s): 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.
(via hydroxypyridone antifungal drug )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1-Hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-2-(1H)pyridinone 2-aminoethanol salt ChemIDplus
Piroctone ethanolamine salt ChemIDplus
Manual Xrefs Databases
D05505 KEGG DRUG
Piroctone_olamine Wikipedia
View more database links
Registry Numbers Types Sources
68890-66-4 CAS Registry Number KEGG DRUG
68890-66-4 CAS Registry Number ChemIDplus
7503297 Beilstein Registry Number Beilstein
7503297 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18837732 PubMed citation Europe PMC
Last Modified
12 March 2019