CHEBI:9329 - sulfadoxine

ChEBI IDCHEBI:9329
ChEBI Namesulfadoxine
Stars
DefinitionA sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.
Last Modified22 February 2017
DownloadsMolfile
FormulaC12H14N4O4S
Net Charge0
Average Mass310.335
Monoisotopic Mass310.07358
SMILESCOc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
InChIInChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)
InChIKeyPJSFRIWCGOHTNF-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antibacterial drug  A drug used to treat or prevent bacterial infections.
Applications:
antimalarial  A drug used in the treatment of malaria. Antimalarials are usually classified on the basis of their action against Plasmodia at different stages in their life cycle in the human.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
sulfadoxine (CHEBI:9329) has role antibacterial drug (CHEBI:36047)
sulfadoxine (CHEBI:9329) has role antimalarial (CHEBI:38068)
sulfadoxine (CHEBI:9329) is a pyrimidines (CHEBI:39447)
sulfadoxine (CHEBI:9329) is a sulfonamide (CHEBI:35358)
IUPAC Name 
4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide
INNs  Source
sulfadoxineKEGG DRUG
sulfadoxinaChemIDplus
sulfadoxinumChemIDplus
Synonyms  Source
SulfadoxineKEGG COMPOUND
SulforthomidineChemIDplus
SulphadoxineChemIDplus
SulphormethoxineChemIDplus
4-Sulfanilamido-5,6-dimethoxypyrimidineChemIDplus
Manual XrefsDatabases
C07630KEGG COMPOUND
D00580KEGG DRUG
DB01299DrugBank
SulfadoxineWikipedia
LSM-5657LINCS
2503DrugCentral
1784VSDB
Registry NumbersSources
Reaxys:625453Reaxys
CAS:2447-57-6KEGG COMPOUND
CAS:2447-57-6ChemIDplus
Citations