EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:7554 - nicosulfuron

ChEBI IDCHEBI:7554
ChEBI Namenicosulfuron
Stars
DefinitionA N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen.
Last Modified6 November 2014
DownloadsMolfile
FormulaC15H18N6O6S
Net Charge0
Average Mass410.412
Monoisotopic Mass410.10085
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
InChIInChI=1S/C15H18N6O6S/c1-21(2)13(22)9-6-5-7-16-12(9)28(24,25)20-15(23)19-14-17-10(26-3)8-11(18-14)27-4/h5-8H,1-4H3,(H2,17,18,19,20,23)
InChIKeyRTCOGUMHFFWOJV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application:
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
nicosulfuron (CHEBI:7554) has role environmental contaminant (CHEBI:78298)
nicosulfuron (CHEBI:7554) has role herbicide (CHEBI:24527)
nicosulfuron (CHEBI:7554) has role xenobiotic (CHEBI:35703)
nicosulfuron (CHEBI:7554) is a N-sulfonylurea (CHEBI:76983)
nicosulfuron (CHEBI:7554) is a pyridines (CHEBI:26421)
nicosulfuron (CHEBI:7554) is a pyrimidines (CHEBI:39447)
IUPAC Name 
2-{[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]sulfamoyl}-N,N-dimethylpyridine-3-carboxamide
Manual XrefsDatabases
C10949KEGG COMPOUND
nicosulfuronAlan Wood's Pesticides
484PPDB
Registry NumbersSources
Reaxys:7233432Reaxys
CAS:111991-09-4KEGG COMPOUND
CAS:111991-09-4ChemIDplus
Citations