CHEBI:145551 - ethametsulfuron

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ChEBI Name ethametsulfuron ChEBI ID CHEBI:145551 Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB8853998, eMolecules:517667 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C14H16N6O6S Net Charge 0 Average Mass 396.380 Monoisotopic Mass 396.08520 InChI InChI=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) InChIKey IRLGCAJYYKDTCG-UHFFFAOYSA-N SMILES C1(=NC(=NC(=N1)NC(NS(C=2C(=CC=CC2)C(=O)O)(=O)=O)=O)OCC)NC Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Application(s): herbicide A substance used to destroy plant pests. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Sources 1-[(2-carboxyphenyl)sulfonyl]-3-[4-(methylamino)-6-ethoxy-1,3,5-triazine-2-yl]urea ChEBI 2-[[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid Alan Wood's Pesticides Manual Xref Database ethametsulfuron Alan Wood's Pesticides View more database links Registry Numbers Types Sources 111353-84-5 CAS Registry Number ChemIDplus 8797661 Reaxys Registry Number Reaxys Citations Types Sources 20116796 PubMed citation Europe PMC 20574870 PubMed citation Europe PMC 22375586 PubMed citation Europe PMC 30136538 PubMed citation Europe PMC IND43718179 Agricola citation Europe PMC IND601309389 Agricola citation Europe PMC Last Modified 02 December 2019