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CHEBI:83466 - diuron-desmethyl

ChEBI IDCHEBI:83466
ChEBI Namediuron-desmethyl
Stars
DefinitionA member of the class of phenylureas that is urea in which a hydrogens attached to one nitrogen is substituted by a methyl group, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group. It is a metabolite of diuron.
Last Modified29 October 2020
DownloadsMolfile
FormulaC8H8Cl2N2O
Net Charge0
Average Mass219.071
Monoisotopic Mass218.00137
SMILESCNC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChIKeyIDQHRQQSSQDLTR-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-desmethyl (CHEBI:83466) has role marine xenobiotic metabolite (CHEBI:83399)
diuron-desmethyl (CHEBI:83466) is a a 1-methyl-3-phenylurea (CHEBI:157694)
diuron-desmethyl (CHEBI:83466) is a dichlorobenzene (CHEBI:23697)
diuron-desmethyl (CHEBI:83466) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(3,4-dichlorophenyl)-3-methylurea
Synonyms  Source
N-methyl-N'-(3',4'-dichlorophenyl)-ureaChEBI
MonomethyldiuronChemIDplus
UniProt Name  Source
3-(3,4-dichlorophenyl)-1-methylureaUniProt
Registry NumbersSources
Reaxys:2805599Reaxys
CAS:3567-62-2ChemIDplus
Citations