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CHEBI:142847 - triflusulfuron

ChEBI IDCHEBI:142847
ChEBI Nametriflusulfuron
Stars
DefinitionAn N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by a (2-carboxy-6-methylphenyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding methyl ester proherbicide) to control annual and perennial broad-leaved weeds in sugar beet and other crops.
Last Modified7 January 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H17F3N6O6S
Net Charge0
Average Mass478.409
Monoisotopic Mass478.08824
SMILESCc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OCC(F)(F)F)nc(N(C)C)n1
InChIInChI=1S/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)
InChIKeyAKTQJCBOGPBERP-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
triflusulfuron (CHEBI:142847) has role agrochemical (CHEBI:33286)
triflusulfuron (CHEBI:142847) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
triflusulfuron (CHEBI:142847) has role herbicide (CHEBI:24527)
triflusulfuron (CHEBI:142847) is a N-sulfonylurea (CHEBI:76983)
triflusulfuron (CHEBI:142847) is a 1,3,5-triazines (CHEBI:26588)
triflusulfuron (CHEBI:142847) is a aromatic ether (CHEBI:35618)
triflusulfuron (CHEBI:142847) is a benzoic acids (CHEBI:22723)
triflusulfuron (CHEBI:142847) is a organofluorine compound (CHEBI:37143)
triflusulfuron (CHEBI:142847) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
triflusulfuron-methyl (CHEBI:82047) has functional parent triflusulfuron (CHEBI:142847)
IUPAC Name 
2-({[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoic acid
Synonyms  Source
2-[[[[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]-3-methylbenzoic acidAlan Wood's Pesticides
2-[4-dimethylamino-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylcarbamoylsulfamoyl]-m-toluic acidAlan Wood's Pesticides
2-(N-{[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)-3-methylbenzoic acidChEBI
Manual XrefsDatabases
1557PPDB
triflusulfuronAlan Wood's Pesticides
Registry NumbersSources
CAS:135990-29-3Alan Wood's Pesticides
CAS:135990-29-3ChemIDplus
Citations