sulfadimethoxine (CHEBI:32161)

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ChEBI Name	sulfadimethoxine

ChEBI ID	CHEBI:32161

Definition	A sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position.

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

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Formula

C12H14N4O4S

Net Charge

Average Mass

310.33012

Monoisotopic Mass

310.07358

InChI

InChI=1S/C12H14N4O4S/c1-19-11-7-10(14-12(15-11)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)

InChIKey

ZZORFUFYDOWNEF-UHFFFAOYSA-N

SMILES

COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1

Roles Classification
Chemical Role(s):	environmental contaminant Any minor or unwanted substance introduced into the environment that can have undesired effects. Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. (via sulfonamide antibiotic ) xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

Application(s):	drug allergen Any drug which causes the onset of an allergic reaction. antiinfective agent A substance used in the prophylaxis or therapy of infectious diseases.

ChEBI Ontology
Outgoing	sulfadimethoxine (CHEBI:32161) has functional parent sulfanilamide (CHEBI:45373) sulfadimethoxine (CHEBI:32161) has role antiinfective agent (CHEBI:35441) sulfadimethoxine (CHEBI:32161) has role antimicrobial agent (CHEBI:33281) sulfadimethoxine (CHEBI:32161) has role drug allergen (CHEBI:88188) sulfadimethoxine (CHEBI:32161) has role environmental contaminant (CHEBI:78298) sulfadimethoxine (CHEBI:32161) has role xenobiotic (CHEBI:35703) sulfadimethoxine (CHEBI:32161) is a aromatic ether (CHEBI:35618) sulfadimethoxine (CHEBI:32161) is a pyrimidines (CHEBI:39447) sulfadimethoxine (CHEBI:32161) is a substituted aniline (CHEBI:48975) sulfadimethoxine (CHEBI:32161) is a sulfonamide (CHEBI:35358) sulfadimethoxine (CHEBI:32161) is a sulfonamide antibiotic (CHEBI:87228)

IUPAC Name

4-amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide

Synonyms	Sources
2,4-dimethoxy-6-sulfanilamido-1,3-diazine	ChemIDplus
2,6-dimethoxy-4-(p-aminobenzenesulfonamido)pyrimidine	ChemIDplus
2,6-dimethoxy-4-sulfanilamidopyrimidine	ChemIDplus
4-amino-N-(2,6-dimethoxy-4-pyrimidinyl)benzenesulfonamide	ChemIDplus
6-sulfanilamido-2,4-dimethoxypyrimidine	ChemIDplus
Abcid (TN)	KEGG DRUG
Agribon (TN)	KEGG DRUG
N¹-(2,6-dimethoxy-4-pyrimidinyl)sulfanilamide	ChemIDplus
Sulfadimethoxine	KEGG DRUG
Sulfadimethoxydiazine	ChemIDplus
Sulphadimethoxine	ChemIDplus

Last Modified

07 March 2019

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