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CHEBI:138417 - flucarbazone

ChEBI IDCHEBI:138417
ChEBI Nameflucarbazone
Stars
DefinitionAn N-sulfonylurea that is 3-methoxy-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazole-1-carboxamide in which the carboxamide nitrogen has undergone formal condensation with the sulfonic acid group of 2-(trifluoromethoxy)benzenesulfonic acid. An acetolactate synthase inhibitor, it is used (generally as the corresponding sodium salt, flucarbazone-sodium) to control grass weeds in cereal crops.
Last Modified11 September 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC12H11F3N4O6S
Net Charge0
Average Mass396.303
Monoisotopic Mass396.03514
SMILESCOc1nn(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C
InChIInChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)
InChIKeyGINFBXXYGUODAT-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:
herbicide  A substance used to destroy plant pests.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
flucarbazone (CHEBI:138417) has role agrochemical (CHEBI:33286)
flucarbazone (CHEBI:138417) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
flucarbazone (CHEBI:138417) has role herbicide (CHEBI:24527)
flucarbazone (CHEBI:138417) is a N-sulfonylurea (CHEBI:76983)
flucarbazone (CHEBI:138417) is a aromatic ether (CHEBI:35618)
flucarbazone (CHEBI:138417) is a organofluorine compound (CHEBI:37143)
flucarbazone (CHEBI:138417) is a triazoles (CHEBI:35727)
flucarbazone (CHEBI:138417) is conjugate acid of flucarbazone(1−) (CHEBI:138418)
Incoming Relation(s)
flucarbazone(1−) (CHEBI:138418) is conjugate base of flucarbazone (CHEBI:138417)
IUPAC Name 
3-methoxy-4-methyl-5-oxo-N-{[2-(trifluoromethoxy)phenyl]sulfonyl}-4,5-dihydro-1H-1,2,4-triazole-1-carboxamide
Synonyms  Source
4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenylsulfonyl]-1H-1,2,4-triazole-1-carboxamideAlan Wood's Pesticides
4,5-dihydro-3-methoxy-4-methyl-5-oxo-N-[[2-(trifluoromethoxy)phenyl]sulfonyl]-1H-1,2,4-triazole-1-carboxamideAlan Wood's Pesticides
Manual XrefsDatabases
flucarbazoneAlan Wood's Pesticides
Registry NumbersSources
Reaxys:11343657Reaxys
CAS:145026-88-6Alan Wood's Pesticides
CAS:145026-88-6ChemIDplus
Citations