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CHEBI:81953 - chlorimuron

ChEBI IDCHEBI:81953
ChEBI Namechlorimuron
Stars
DefinitionAn N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a (2-carboxyphenyl)sulfonyl group, while the other has been substituted by a 4-chloro-6-methoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding ethyl ester) as a herbicide.
Last Modified27 June 2018
DownloadsMolfile
FormulaC13H11ClN4O6S
Net Charge0
Average Mass386.773
Monoisotopic Mass386.00878
SMILESCOc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)
InChIKeyRIUXZHMCCFLRBI-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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:
herbicide  A substance used to destroy plant pests.
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 (CHEBI:81953) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
chlorimuron (CHEBI:81953) has role herbicide (CHEBI:24527)
chlorimuron (CHEBI:81953) is a N-sulfonylurea (CHEBI:76983)
chlorimuron (CHEBI:81953) is a aromatic ether (CHEBI:35618)
chlorimuron (CHEBI:81953) is a benzoic acids (CHEBI:22723)
chlorimuron (CHEBI:81953) is a organochlorine pesticide (CHEBI:38656)
chlorimuron (CHEBI:81953) is a pyrimidines (CHEBI:39447)
chlorimuron (CHEBI:81953) is a sulfamoylbenzoate (CHEBI:48471)
Incoming Relation(s)
chlorimuron-ethyl (CHEBI:47319) has functional parent chlorimuron (CHEBI:81953)
IUPAC Name 
2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid
Synonyms  Source
2-[[[[(4-chloro-6-methoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]benzoic acidAlan Wood's Pesticides
2-(4-chloro-6-methoxypyrimidin-2-ylcarbamoylsulfamoyl)benzoic acidAlan Wood's Pesticides
Manual XrefsDatabases
3031PPDB
C18777KEGG COMPOUND
chlorimuronAlan Wood's Pesticides
Registry NumbersSources
Reaxys:7779120Reaxys
CAS:99283-00-8ChemIDplus
CAS:99283-00-8KEGG COMPOUND
CAS:99283-00-8Alan Wood's Pesticides