3-hydroxymethylantipyrine (CHEBI:145210)

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ChEBI Name	3-hydroxymethylantipyrine

ChEBI ID	CHEBI:145210

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Mark Williams

Supplier Information

Download	Molfile XML SDF

Formula

C11H12N2O2

Net Charge

Average Mass

204.229

Monoisotopic Mass

204.08988

InChI

InChI=1S/C11H12N2O2/c1-12-10(8-14)7-11(15)13(12)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3

InChIKey

JBJKAGOWIZGVTR-UHFFFAOYSA-N

SMILES

O=C1N(N(C(=C1)CO)C)C2=CC=CC=C2

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO_0000131). See: PubMed

Roles Classification
Biological Role(s):	human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples. drug metabolite

ChEBI Ontology
Outgoing	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	Sources
1,2-dihydro-5-(hydroxymethyl)-1-methyl-2-phenyl-3H-pyrazol-3-one	ChemIDplus
2-Methyl-3-(hydroxymethyl)-1-phenyl-3-pyrazolin-5-one	ChEBI
3-HMAP	ChemIDplus
5-(hydroxymethyl)-1-methyl-2-phenyl-1H-pyrazol-3(2H)-one	ChEBI

Registry Number	Type	Source
18125-49-0	CAS Registry Number	ChemIDplus

Last Modified

07 November 2019