EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83464 - diuron-desdimethyl

ChEBI IDCHEBI:83464
ChEBI Namediuron-desdimethyl
Stars
DefinitionA member of the class of ureas that is urea substituted by a 3,4-dichlorophenyl group at position 1. It is a metabolite of the herbicide diuron.
Last Modified26 November 2016
DownloadsMolfile
FormulaC7H6Cl2N2O
Net Charge0
Average Mass205.044
Monoisotopic Mass203.98572
SMILESNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C7H6Cl2N2O/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyCYESCLHCWJKRKM-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
diuron-desdimethyl (CHEBI:83464) has role marine xenobiotic metabolite (CHEBI:83399)
diuron-desdimethyl (CHEBI:83464) is a dichlorobenzene (CHEBI:23697)
diuron-desdimethyl (CHEBI:83464) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(3,4-dichlorophenyl)urea
Synonym  Source
N-(3,4-dichlorophenyl)ureaChEBI
Registry NumbersSources
Reaxys:2723039Reaxys
CAS:2327-02-8ChemIDplus