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CHEBI:3017 - bensulfuron-methyl

ChEBI IDCHEBI:3017
ChEBI Namebensulfuron-methyl
Stars
DefinitionThe methyl ester of bensulfuron. An acetolactate synthase inhibitor, it is used as a herbicide for the control of a variety of both annual and perennial weeds in crops, particularly wheat and rice. It is not licensed for use within the UK.
Last Modified1 August 2016
DownloadsMolfile
FormulaC16H18N4O7S
Net Charge0
Average Mass410.408
Monoisotopic Mass410.08962
SMILESCOC(=O)c1ccccc1CS(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
InChIInChI=1S/C16H18N4O7S/c1-25-12-8-13(26-2)18-15(17-12)19-16(22)20-28(23,24)9-10-6-4-5-7-11(10)14(21)27-3/h4-8H,9H2,1-3H3,(H2,17,18,19,20,22)
InChIKeyXMQFTWRPUQYINF-UHFFFAOYSA-N
Roles Classification
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)
bensulfuron-methyl (CHEBI:3017) has functional parent bensulfuron (CHEBI:132880)
bensulfuron-methyl (CHEBI:3017) has role agrochemical (CHEBI:33286)
bensulfuron-methyl (CHEBI:3017) has role EC 2.2.1.6 (acetolactate synthase) inhibitor (CHEBI:22180)
bensulfuron-methyl (CHEBI:3017) has role herbicide (CHEBI:24527)
bensulfuron-methyl (CHEBI:3017) is a N-sulfonylurea (CHEBI:76983)
bensulfuron-methyl (CHEBI:3017) is a aromatic ether (CHEBI:35618)
bensulfuron-methyl (CHEBI:3017) is a methyl ester (CHEBI:25248)
bensulfuron-methyl (CHEBI:3017) is a pyrimidines (CHEBI:39447)
IUPAC Name 
methyl 2-({[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}methyl)benzoate
Synonyms  Source
Methyl bensulfuronKEGG COMPOUND
Bensulfuron methylKEGG COMPOUND
methyl α-[(4,6-dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-o-toluateAlan Wood's Pesticides
methyl 2-[[[[[(4,6-dimethoxy-2-pyrimidinyl)amino]carbonyl]amino]sulfonyl]methyl]benzoateAlan Wood's Pesticides
methyl α-((4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-o-toluateChemIDplus
bensulfuron methyl esterChemIDplus
Manual XrefsDatabases
C10937KEGG COMPOUND
60GPDBeChem
derivatives/bensulfuron-methylAlan Wood's Pesticides
68PPDB
Registry NumbersSources
Reaxys:7447488Reaxys
CAS:83055-99-6KEGG COMPOUND
CAS:83055-99-6Alan Wood's Pesticides
CAS:83055-99-6ChemIDplus
Citations