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> Main
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.
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Molfile
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-1
H
-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
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