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CHEBI:83500 - tritosulfuron

ChEBI IDCHEBI:83500
ChEBI Nametritosulfuron
Stars
DefinitionA sulfonamide that is benzenesulfonamide substituted by a trifluoromethyl group at position 2 and a [4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl group at the nitrogen atom.
Last Modified14 March 2024
DownloadsMolfile
FormulaC13H9F6N5O4S
Net Charge0
Average Mass445.301
Monoisotopic Mass445.02794
SMILESCOc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(F)(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C13H9F6N5O4S/c1-28-11-21-8(13(17,18)19)20-9(23-11)22-10(25)24-29(26,27)7-5-3-2-4-6(7)12(14,15)16/h2-5H,1H3,(H2,20,21,22,23,24,25)
InChIKeyKVEQCVKVIFQSGC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
tritosulfuron (CHEBI:83500) has role environmental contaminant (CHEBI:78298)
tritosulfuron (CHEBI:83500) has role herbicide (CHEBI:24527)
tritosulfuron (CHEBI:83500) has role xenobiotic (CHEBI:35703)
tritosulfuron (CHEBI:83500) is a (trifluoromethyl)benzenes (CHEBI:83565)
tritosulfuron (CHEBI:83500) is a N-sulfonylurea (CHEBI:76983)
tritosulfuron (CHEBI:83500) is a methoxy-1,3,5-triazine (CHEBI:38177)
IUPAC Name 
N-{[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamoyl}-2-(trifluoromethyl)benzenesulfonamide
Synonym  Source
1-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]-3-[2-(trifluoromethyl)benzenesulfonyl]ureaChEBI
Manual XrefsDatabases
tritosulfuronAlan Wood's Pesticides
NZ570537Patent
EA013226Patent
NZ541924Patent
674PPDB
DE10245222Patent
Registry NumbersSources
Reaxys:11343519Reaxys
CAS:142469-14-5ChemIDplus
Citations