EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31169 - N-acetylsulfamethoxazole

ChEBI IDCHEBI:31169
ChEBI NameN-acetylsulfamethoxazole
Stars
ASCII NameN-acetylsulfamethoxazole
DefinitionA sulfonamide compound having a 4-acetamidophenyl group attached to the sulfur atom and a 1,2-oxazol-3-yl group attached to the nitrogen atom.
Last Modified10 November 2014
DownloadsMolfile
FormulaC12H13N3O4S
Net Charge0
Average Mass295.320
Monoisotopic Mass295.06268
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyGXPIUNZCALHVBA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
N-acetylsulfamethoxazole (CHEBI:31169) has functional parent sulfamethoxazole (CHEBI:9332)
N-acetylsulfamethoxazole (CHEBI:31169) has functional parent sulfanilamide (CHEBI:45373)
N-acetylsulfamethoxazole (CHEBI:31169) has role drug metabolite (CHEBI:49103)
N-acetylsulfamethoxazole (CHEBI:31169) has role marine xenobiotic metabolite (CHEBI:83399)
N-acetylsulfamethoxazole (CHEBI:31169) is a isoxazoles (CHEBI:55373)
N-acetylsulfamethoxazole (CHEBI:31169) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-{4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl}acetamide
Synonyms  Source
AcetylsulfamethoxazoleKEGG COMPOUND
Gantanol (TN)KEGG DRUG
N4-AcetylsulfamethoxazoleChemIDplus
4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilideChemIDplus
N4-AcetylsulfisomezoleChemIDplus
N4-AcetylsulfulfamethoxazoleChemIDplus
Manual XrefsDatabases
C13061KEGG COMPOUND
D01601KEGG DRUG
Registry NumbersSources
Reaxys:285801Reaxys
CAS:21312-10-7KEGG COMPOUND
CAS:21312-10-7KEGG DRUG
CAS:21312-10-7ChemIDplus
Citations