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CHEBI:145210 - 3-hydroxymethylantipyrine

ChEBI IDCHEBI:145210
ChEBI Name3-hydroxymethylantipyrine
Stars
DefinitionA pyrazolone that is antipyrine in which one of the hydrogens of the 5-methyl group is substituted by a hydroxymethyl group. It is a metabolite of the analgesic drug, antipyrene.
Last Modified7 November 2019
Submittermwilliams
DownloadsMolfile
FormulaC11H12N2O2
Net Charge0
Average Mass204.229
Monoisotopic Mass204.08988
SMILESCn1c(CO)cc(=O)n1-c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-12-10(8-14)7-11(15)13(12)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChIKeyJBJKAGOWIZGVTR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (10678296)
blood plasma (BTO_0000131) PubMed (4043202)
Roles Classification
Biological Roles:
human urinary metabolite  Any metabolite (endogenous or exogenous) found in human urine samples.
ChEBI Ontology
Outgoing Relation(s)
3-hydroxymethylantipyrine (CHEBI:145210) has functional parent antipyrine (CHEBI:31225)
3-hydroxymethylantipyrine (CHEBI:145210) has role drug metabolite (CHEBI:49103)
3-hydroxymethylantipyrine (CHEBI:145210) has role human urinary metabolite (CHEBI:84087)
3-hydroxymethylantipyrine (CHEBI:145210) is a pyrazolone (CHEBI:83328)
IUPAC Name 
5-(hydroxymethyl)-1-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Synonyms  Source
1,2-dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-3H-pyrazol-3-oneChemIDplus
3-HMAPChemIDplus
2-Methyl-3-(hydroxymethyl)-1-phenyl-3-pyrazolin-5-oneChEBI
5-(hydroxymethyl)-1-methyl-2-phenyl-1H-pyrazol-3(2H)-oneChEBI
Manual XrefsDatabases
HMDB0013840HMDB
Registry NumbersSources
CAS:18125-49-0ChemIDplus
Citations