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CHEBI:83526 - 4-formylaminoantipyrine

ChEBI IDCHEBI:83526
ChEBI Name4-formylaminoantipyrine
Stars
DefinitionA pyrazolone that is 1,2-dihydro-3H-pyrazol-3-one substituted by a formaylamino group at position 4, methyl groups at positions 1 and 5 and a phenyl group at position 2. It is a metabolite of aminophenazone.
Last Modified18 November 2014
DownloadsMolfile
FormulaC12H13N3O2
Net Charge0
Average Mass231.255
Monoisotopic Mass231.10078
SMILESCc1c(NC=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16)
InChIKeyWSJBSKRPKADYRQ-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-formylaminoantipyrine (CHEBI:83526) has role drug metabolite (CHEBI:49103)
4-formylaminoantipyrine (CHEBI:83526) has role marine xenobiotic metabolite (CHEBI:83399)
4-formylaminoantipyrine (CHEBI:83526) is a formamides (CHEBI:24079)
4-formylaminoantipyrine (CHEBI:83526) is a pyrazolone (CHEBI:83328)
IUPAC Name 
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide
Synonym  Source
N-antipyrinyl formamideChemIDplus
Registry NumbersSources
Reaxys:217665Reaxys
CAS:1672-58-8ChemIDplus
Citations