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CHEBI:82010 - flucarbazone-sodium

ChEBI IDCHEBI:82010
ChEBI Nameflucarbazone-sodium
Stars
DefinitionAn organic sodium salt resulting from the formal reaction of the sulfonamide amino group of flucarbazone with 1 mol eq. of sodium hydride. An acetolactate synthase inhibitor, it is used as a herbicide to control grass weeds in cereal crops. Not approved for use within the European Union.
Last Modified11 September 2017
DownloadsMolfile
FormulaC12H10F3N4O6S.Na
Net Charge0
Average Mass418.285
Monoisotopic Mass418.01708
SMILESCOc1nn(C(=O)[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c(=O)n1C.[Na+]
InChIInChI=1S/C12H11F3N4O6S.Na/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);/q;+1/p-1
InChIKeyUOUXAYAIONPXDH-UHFFFAOYSA-M
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:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
flucarbazone-sodium (CHEBI:82010) has part flucarbazone(1−) (CHEBI:138418)
flucarbazone-sodium (CHEBI:82010) has role agrochemical (CHEBI:33286)
flucarbazone-sodium (CHEBI:82010) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
flucarbazone-sodium (CHEBI:82010) has role herbicide (CHEBI:24527)
flucarbazone-sodium (CHEBI:82010) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium [(3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanide
Synonyms  Source
sodium [(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]{[2-(trifluoromethoxy)phenyl]sulfonyl}azanideAlan Wood's Pesticides
BAY-MKH 6562ChemIDplus
MKH 6562ChemIDplus
flucarbazone-NaChEBI
Manual XrefsDatabases
C18851KEGG COMPOUND
derivatives/flucarbazone-sodiumAlan Wood's Pesticides
1157PPDB
Registry NumbersSources
Reaxys:14186850Reaxys
CAS:181274-17-9KEGG COMPOUND
CAS:181274-17-9Alan Wood's Pesticides
CAS:181274-17-9ChemIDplus
Citations