CHEBI:83513 - 4-acetamidoantipyrine

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ChEBI Name 4-acetamidoantipyrine
ChEBI ID CHEBI:83513
Definition A member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB9720299, eMolecules:533864, ZINC000000041021
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Formula C13H15N3O2
Net Charge 0
Average Mass 245.27710
Monoisotopic Mass 245.11643
InChI InChI=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)
InChIKey OIAGWXKSCXPNNZ-UHFFFAOYSA-N
SMILES CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
Roles Classification
Biological Role(s): drug metabolite

marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
4-acetaminoantipyrine ChemIDplus
4-acetoaminoantipyrine ChemIDplus
acetylaminoantipyrine ChemIDplus
Registry Numbers Types Sources
234585 Reaxys Registry Number Reaxys
83-15-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23137864 PubMed citation Europe PMC
24033151 PubMed citation Europe PMC
25305554 PubMed citation Europe PMC
6123588 PubMed citation Europe PMC
Last Modified
17 November 2014