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CHEBI:9678 - tribenuron methyl

ChEBI IDCHEBI:9678
ChEBI Nametribenuron methyl
Stars
DefinitionThe methyl ester of tribenuron.
Secondary ChEBI IDCHEBI:39705
Last Modified14 March 2024
DownloadsMolfile
FormulaC15H17N5O6S
Net Charge0
Average Mass395.397
Monoisotopic Mass395.08995
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1
InChIInChI=1S/C15H17N5O6S/c1-9-16-13(18-14(17-9)26-4)20(2)15(22)19-27(23,24)11-8-6-5-7-10(11)12(21)25-3/h5-8H,1-4H3,(H,19,22)
InChIKeyVLCQZHSMCYCDJL-UHFFFAOYSA-N
Roles Classification
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
tribenuron methyl (CHEBI:9678) has functional parent tribenuron (CHEBI:83571)
tribenuron methyl (CHEBI:9678) has role herbicide (CHEBI:24527)
tribenuron methyl (CHEBI:9678) is a N-sulfonylurea (CHEBI:76983)
tribenuron methyl (CHEBI:9678) is a benzoate ester (CHEBI:36054)
tribenuron methyl (CHEBI:9678) is a methoxy-1,3,5-triazine (CHEBI:38177)
tribenuron methyl (CHEBI:9678) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl 2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoate
Synonyms  Source
Tribenuron methylKEGG COMPOUND
Tribenuron-methylKEGG COMPOUND
METHYL 2-[4-METHOXY-6-METHYL-1,3,5-TRAZIN-2-YL(METHYL)CARBAMOYLSULFAMOYL]BENZOATEPDBeChem
methyl 2-[({[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)amino]carbonyl}amino)sulfonyl]benzoateChEBI
Sulfmethmeton-methylChemIDplus
Tribenuron methyl esterChemIDplus
Manual XrefsDatabases
C10962KEGG COMPOUND
1TBPDBeChem
tribenuronAlan Wood's Pesticides
655PPDB
Registry NumbersSources
Reaxys:7447730Reaxys
CAS:101200-48-0KEGG COMPOUND
CAS:101200-48-0ChemIDplus
Citations