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CHEBI:47319 - chlorimuron-ethyl

ChEBI IDCHEBI:47319
ChEBI Namechlorimuron-ethyl
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops.
Secondary ChEBI IDCHEBI:3617
Last Modified27 June 2018
DownloadsMolfile
FormulaC15H15ClN4O6S
Net Charge0
Average Mass414.827
Monoisotopic Mass414.04008
SMILESCCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1
InChIInChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyNSWAMPCUPHPTTC-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.2.1.6 (acetolactate synthase) inhibitor  An EC 2.2.1.* (transketolase/transaldolase) inhibitor that interferes with the action of acetolactate synthase (EC 2.2.1.6).
Applications:
proherbicide  A compound that, on administration, must undergo chemical conversion by biochemical (enzymatic), chemical (possibly following an enzymatic step), or physical (e.g. photochemical) activation processes before becoming the pharmacologically active herbicide for which it is a proherbicide.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
chlorimuron-ethyl (CHEBI:47319) has functional parent chlorimuron (CHEBI:81953)
chlorimuron-ethyl (CHEBI:47319) has role agrochemical (CHEBI:33286)
chlorimuron-ethyl (CHEBI:47319) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
chlorimuron-ethyl (CHEBI:47319) has role proherbicide (CHEBI:136646)
chlorimuron-ethyl (CHEBI:47319) is a N-sulfonylurea (CHEBI:76983)
chlorimuron-ethyl (CHEBI:47319) is a aromatic ether (CHEBI:35618)
chlorimuron-ethyl (CHEBI:47319) is a ethyl ester (CHEBI:23990)
chlorimuron-ethyl (CHEBI:47319) is a organochlorine pesticide (CHEBI:38656)
chlorimuron-ethyl (CHEBI:47319) is a pyrimidines (CHEBI:39447)
chlorimuron-ethyl (CHEBI:47319) is a sulfamoylbenzoate (CHEBI:48471)
chlorimuron-ethyl (CHEBI:47319) is conjugate acid of chlorimuron-ethyl(1−) (CHEBI:188144)
Incoming Relation(s)
chlorimuron-ethyl(1−) (CHEBI:188144) is conjugate base of chlorimuron-ethyl (CHEBI:47319)
IUPAC Name 
ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
Synonyms  Source
Chlorimuron ethylKEGG COMPOUND
chlorimuron ethyl esterChemIDplus
ethyl 2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoateAlan Wood's Pesticides
ethyl 2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoateAlan Wood's Pesticides
Manual XrefsDatabases
CIEPDBeChem
C10943KEGG COMPOUND
derivatives/chlorimuron-ethylAlan Wood's Pesticides
1145PPDB
Registry NumbersSources
Reaxys:7448363Reaxys
CAS:90982-32-4KEGG COMPOUND
CAS:90982-32-4ChemIDplus
CAS:90982-32-4Alan Wood's Pesticides
Citations