CHEBI:82047 - triflusulfuron-methyl

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ChEBI Name triflusulfuron-methyl
ChEBI ID CHEBI:82047
Definition A methyl ester resulting from the formal condensation of the carboxy group of triflusulfuron with methanol. A proherbicide for triflusulfuron.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB8103147, eMolecules:511216, ZINC000002384331
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Formula C17H19F3N6O6S
Net Charge 0
Average Mass 492.431
Monoisotopic Mass 492.10389
InChI InChI=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)
InChIKey IMEVJVISCHQJRM-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1C(OC)=O)S(NC(NC2=NC(=NC(=N2)N(C)C)OCC(F)(F)F)=O)(=O)=O)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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).
Application(s): 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.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing 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 1,3,5-triazines (CHEBI:26588)
triflusulfuron-methyl (CHEBI:82047) is a N-sulfonylurea (CHEBI:76983)
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-methylbenzoate Alan Wood's Pesticides
Manual Xrefs Databases
126535-15-7 Alan Wood's Pesticides
668 PPDB
C18901 KEGG COMPOUND
derivatives/triflusulfuron-methyl Alan Wood's Pesticides
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Registry Numbers Types Sources
126535-15-7 CAS Registry Number KEGG COMPOUND
126535-15-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations
Last Modified
07 January 2019