N(4)-acetylsulfadimethoxine (CHEBI:83456)

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ChEBI Name	N⁴-acetylsulfadimethoxine

ChEBI ID	CHEBI:83456

ChEBI ASCII Name	N(4)-acetylsulfadimethoxine

Definition	A 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.

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

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Formula

C14H16N4O5S

Net Charge

Average Mass

352.36600

Monoisotopic Mass

352.08414

InChI

InChI=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)

InChIKey

DQWIIKBKAIPUPY-UHFFFAOYSA-N

SMILES

COc1cc(OC)nc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)n1

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

ChEBI Ontology
Outgoing	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	Sources
4-acetylamino-N-(4,6-dimethoxy-pyrimidin-2-yl)-benzenesulfonamide	ChEBI
N(4)-Acetylsulfadimethoxine	ChemIDplus

Last Modified

07 November 2014

General Comments
2014-10-29	Metabolite of Sulfadimethoxin
2014-10-29	Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag