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CHEBI:83571 - tribenuron

ChEBI IDCHEBI:83571
ChEBI Nametribenuron
Stars
DefinitionAn N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant.
Secondary ChEBI IDCHEBI:82046
Last Modified25 May 2016
Submitterjewie
DownloadsMolfile
FormulaC14H15N5O6S
Net Charge0
Average Mass381.370
Monoisotopic Mass381.07430
SMILESCOc1nc(C)nc(N(C)C(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H15N5O6S/c1-8-15-12(17-13(16-8)25-3)19(2)14(22)18-26(23,24)10-7-5-4-6-9(10)11(20)21/h4-7H,1-3H3,(H,18,22)(H,20,21)
InChIKeyBQZXUHDXIARLEO-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
tribenuron (CHEBI:83571) has role herbicide (CHEBI:24527)
tribenuron (CHEBI:83571) is a N-sulfonylurea (CHEBI:76983)
tribenuron (CHEBI:83571) is a benzoic acids (CHEBI:22723)
tribenuron (CHEBI:83571) is a methoxy-1,3,5-triazine (CHEBI:38177)
Incoming Relation(s)
tribenuron methyl (CHEBI:9678) has functional parent tribenuron (CHEBI:83571)
IUPAC Name 
2-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)(methyl)carbamoyl]sulfamoyl}benzoic acid
Manual XrefsDatabases
C18900KEGG COMPOUND
tribenuronAlan Wood's Pesticides
1556PPDB
Registry NumbersSources
Reaxys:8348441Reaxys
CAS:106040-48-6KEGG COMPOUND
CAS:106040-48-6ChemIDplus