CHEBI:7554 - nicosulfuron

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nicosulfuron
ChEBI ID CHEBI:7554
Definition A N-sulfonylurea that is 2-(carbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide substituted by a 4,6-dimethoxypyrimidin-2-yl group at the amino nitrogen.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H18N6O6S
Net Charge 0
Average Mass 410.40500
Monoisotopic Mass 410.101
InChI InChI=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)
InChIKey RTCOGUMHFFWOJV-UHFFFAOYSA-N
SMILES COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ncccc2C(=O)N(C)C)n1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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(s): herbicide
A substance used to destroy plant pests.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
484 PPDB
C10949 KEGG COMPOUND
nicosulfuron Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
111991-09-4 CAS Registry Number KEGG COMPOUND
111991-09-4 CAS Registry Number ChemIDplus
7233432 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
25165819 PubMed citation Europe PMC
25272750 PubMed citation Europe PMC
25338136 PubMed citation Europe PMC
Last Modified
06 November 2014
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag