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CHEBI:82047 - triflusulfuron-methyl

ChEBI IDCHEBI:82047
ChEBI Nametriflusulfuron-methyl
Stars
DefinitionA methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron.
Last Modified7 January 2019
DownloadsMolfile
FormulaC17H19F3N6O6S
Net Charge0
Average Mass492.436
Monoisotopic Mass492.10389
SMILESCOC(=O)c1cccc(C)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C17H19F3N6O6S/c1-9-6-5-7-10(12(27)31-4)11(9)33(29,30)25-15(28)22-13-21-14(26(2)3)24-16(23-13)32-8-17(18,19)20/h5-7H,8H2,1-4H3,(H2,21,22,23,24,25,28)
InChIKeyIMEVJVISCHQJRM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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.
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.
ChEBI Ontology
Outgoing Relation(s)
triflusulfuron-methyl (CHEBI:82047) has functional parent triflusulfuron (CHEBI:142847)
triflusulfuron-methyl (CHEBI:82047) has role agrochemical (CHEBI:33286)
triflusulfuron-methyl (CHEBI:82047) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
triflusulfuron-methyl (CHEBI:82047) has role proherbicide (CHEBI:136646)
triflusulfuron-methyl (CHEBI:82047) is a N-sulfonylurea (CHEBI:76983)
triflusulfuron-methyl (CHEBI:82047) is a 1,3,5-triazines (CHEBI:26588)
triflusulfuron-methyl (CHEBI:82047) is a aromatic ether (CHEBI:35618)
triflusulfuron-methyl (CHEBI:82047) is a benzoate ester (CHEBI:36054)
triflusulfuron-methyl (CHEBI:82047) is a methyl ester (CHEBI:25248)
triflusulfuron-methyl (CHEBI:82047) is a organofluorine compound (CHEBI:37143)
triflusulfuron-methyl (CHEBI:82047) is a tertiary amino compound (CHEBI:50996)
IUPAC Names 
methyl 2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoate
methyl 2-[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylcarbamoylsulfamoyl]-m-toluate
Synonym  Source
methyl 2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methylbenzoateAlan Wood's Pesticides
Manual XrefsDatabases
C18901KEGG COMPOUND
668PPDB
derivatives/triflusulfuron-methylAlan Wood's Pesticides
126535-15-7Alan Wood's Pesticides
Registry NumbersSources
CAS:126535-15-7KEGG COMPOUND
CAS:126535-15-7ChemIDplus
Citations