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CHEBI:83457 - N4-acetylsulfamethazine

ChEBI IDCHEBI:83457
ChEBI NameN4-acetylsulfamethazine
Stars
ASCII NameN(4)-acetylsulfamethazine
DefinitionA sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine.
Last Modified7 November 2014
DownloadsMolfile
FormulaC14H16N4O3S
Net Charge0
Average Mass320.374
Monoisotopic Mass320.09431
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
InChIInChI=1S/C14H16N4O3S/c1-9-8-10(2)16-14(15-9)18-22(20,21)13-6-4-12(5-7-13)17-11(3)19/h4-8H,1-3H3,(H,17,19)(H,15,16,18)
InChIKeyLJKAKWDUZRJNPJ-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-acetylsulfamethazine (CHEBI:83457) has role marine xenobiotic metabolite (CHEBI:83399)
N4-acetylsulfamethazine (CHEBI:83457) is a acetamides (CHEBI:22160)
N4-acetylsulfamethazine (CHEBI:83457) is a pyrimidines (CHEBI:39447)
N4-acetylsulfamethazine (CHEBI:83457) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-{4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Synonym  Source
4-acetylamino-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamideChEBI
Registry NumbersSources
Reaxys:312779Reaxys
CAS:100-90-3ChemIDplus