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CHEBI:83458 - N4-acetylsulfadiazine

ChEBI IDCHEBI:83458
ChEBI NameN4-acetylsulfadiazine
Stars
ASCII NameN(4)-acetylsulfadiazine
DefinitionA sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the drug sulfadiazine.
Last Modified7 November 2014
DownloadsMolfile
FormulaC12H12N4O3S
Net Charge0
Average Mass292.320
Monoisotopic Mass292.06301
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
InChIInChI=1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
InChIKeyNJIZUWGMNCUKGU-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
N4-acetylsulfadiazine (CHEBI:83458) has role marine xenobiotic metabolite (CHEBI:83399)
N4-acetylsulfadiazine (CHEBI:83458) is a acetamides (CHEBI:22160)
N4-acetylsulfadiazine (CHEBI:83458) is a pyrimidines (CHEBI:39447)
N4-acetylsulfadiazine (CHEBI:83458) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
Synonyms  Source
N(4)-AcetylsulfadiazineChemIDplus
4-acetylamino-N-pyrimidin-2-yl-benzenesulfonamideChEBI
Registry NumbersSources
Reaxys:286028Reaxys
CAS:127-74-2ChemIDplus