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	eMolecules:493292, ZINC000000967579

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

Citations

Last Modified

10 November 2014

General Comment
2014-10-29	Metabolite of Sulfamethoxazole