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CHEBI:83456 - N4-acetylsulfadimethoxine

ChEBI IDCHEBI:83456
ChEBI NameN4-acetylsulfadimethoxine
Stars
ASCII NameN(4)-acetylsulfadimethoxine
DefinitionA sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethoxy-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the sulfonamide antibiotic sulfadimethoxine.
Last Modified7 November 2014
DownloadsMolfile
FormulaC14H16N4O5S
Net Charge0
Average Mass352.372
Monoisotopic Mass352.08414
SMILESCOc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1
InChIInChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-14-16-12(22-2)8-13(17-14)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyDQWIIKBKAIPUPY-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-acetylsulfadimethoxine (CHEBI:83456) has role marine xenobiotic metabolite (CHEBI:83399)
N4-acetylsulfadimethoxine (CHEBI:83456) is a acetamides (CHEBI:22160)
N4-acetylsulfadimethoxine (CHEBI:83456) is a pyrimidines (CHEBI:39447)
N4-acetylsulfadimethoxine (CHEBI:83456) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-{4-[(4,6-dimethoxypyrimidin-2-yl)sulfamoyl]phenyl}acetamide
Synonyms  Source
4-acetylamino-N-(4,6-dimethoxy-pyrimidin-2-yl)-benzenesulfonamideChEBI
N(4)-AcetylsulfadimethoxineChemIDplus
Registry NumbersSources
Reaxys:346862Reaxys
CAS:24341-30-8ChemIDplus