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CHEBI:145551 - ethametsulfuron

ChEBI IDCHEBI:145551
ChEBI Nameethametsulfuron
Stars
DefinitionAn N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group.
Last Modified2 December 2019
SubmitterAdnan
DownloadsMolfile
FormulaC14H16N6O6S
Net Charge0
Average Mass396.385
Monoisotopic Mass396.08520
SMILESCCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)O)n1
InChIInChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)
InChIKeyIRLGCAJYYKDTCG-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
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)
ethametsulfuron (CHEBI:145551) has role herbicide (CHEBI:24527)
ethametsulfuron (CHEBI:145551) is a N-sulfonylurea (CHEBI:76983)
ethametsulfuron (CHEBI:145551) is a aromatic ether (CHEBI:35618)
ethametsulfuron (CHEBI:145551) is a benzoic acids (CHEBI:22723)
ethametsulfuron (CHEBI:145551) is a diamino-1,3,5-triazine (CHEBI:38170)
Incoming Relation(s)
ethametsulfuron-methyl (CHEBI:145553) has functional parent ethametsulfuron (CHEBI:145551)
IUPAC Name 
2-({[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoyl}sulfamoyl)benzoic acid
Synonyms  Source
2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acidAlan Wood's Pesticides
1-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]ureaChEBI
Manual XrefsDatabases
ethametsulfuronAlan Wood's Pesticides
Registry NumbersSources
Reaxys:8797661Reaxys
CAS:111353-84-5ChemIDplus
Citations