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CHEBI:83513 - 4-acetamidoantipyrine

ChEBI IDCHEBI:83513
ChEBI Name4-acetamidoantipyrine
Stars
DefinitionA member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole.
Last Modified17 November 2014
DownloadsMolfile
FormulaC13H15N3O2
Net Charge0
Average Mass245.282
Monoisotopic Mass245.11643
SMILESCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKeyOIAGWXKSCXPNNZ-UHFFFAOYSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
4-acetamidoantipyrine (CHEBI:83513) has functional parent antipyrine (CHEBI:31225)
4-acetamidoantipyrine (CHEBI:83513) has role drug metabolite (CHEBI:49103)
4-acetamidoantipyrine (CHEBI:83513) has role marine xenobiotic metabolite (CHEBI:83399)
4-acetamidoantipyrine (CHEBI:83513) is a acetamides (CHEBI:22160)
4-acetamidoantipyrine (CHEBI:83513) is a pyrazoles (CHEBI:26410)
IUPAC Name 
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
Synonyms  Source
acetylaminoantipyrineChemIDplus
4-acetoaminoantipyrineChemIDplus
4-acetaminoantipyrineChemIDplus
Registry NumbersSources
Reaxys:234585Reaxys
CAS:83-15-8ChemIDplus
Citations