N-acetylsulfamethoxazole (CHEBI:31169)

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ChEBI Name	N-acetylsulfamethoxazole

ChEBI ID	CHEBI:31169

ChEBI ASCII Name	N-acetylsulfamethoxazole

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C12H13N3O4S

Net Charge

Average Mass

295.31400

Monoisotopic Mass

295.06268

InChI

InChI=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)

InChIKey

GXPIUNZCALHVBA-UHFFFAOYSA-N

SMILES

CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1

Roles Classification
Biological Role(s):	drug metabolite marine xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.

ChEBI Ontology
Outgoing	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	Sources
4'-((5-Methyl-3-isoxazolyl)sulfamoyl)acetanilide	ChemIDplus
Acetylsulfamethoxazole	KEGG COMPOUND
Gantanol (TN)	KEGG DRUG
N4-Acetylsulfamethoxazole	ChemIDplus
N⁴-Acetylsulfisomezole	ChemIDplus
N⁴-Acetylsulfulfamethoxazole	ChemIDplus
SMX-acetate	ChEBI
sulfamethoxazole acetate	ChEBI
Sulfisomezole-N⁴-acetate	ChemIDplus

Last Modified

10 November 2014

General Comment
2014-10-29	Metabolite of Sulfamethoxazole