CHEBI:83466 - diuron-desmethyl

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ChEBI Name diuron-desmethyl
ChEBI ID CHEBI:83466
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H8Cl2N2O
Net Charge 0
Average Mass 219.06800
Monoisotopic Mass 218.00137
InChI InChI=1S/C8H8Cl2N2O/c1-11-8(13)12-5-2-3-6(9)7(10)4-5/h2-4H,1H3,(H2,11,12,13)
InChIKey IDQHRQQSSQDLTR-UHFFFAOYSA-N
SMILES CNC(=O)Nc1ccc(Cl)c(Cl)c1
Roles Classification
Biological Role(s): marine xenobiotic metabolite
Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
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ChEBI Ontology
Outgoing 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 Sources
3-(3,4-dichlorophenyl)-1-methylurea UniProt
Monomethyldiuron ChemIDplus
N-methyl-N'-(3',4'-dichlorophenyl)-urea ChEBI
Registry Numbers Types Sources
2805599 Reaxys Registry Number Reaxys
3567-62-2 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11171526 PubMed citation Europe PMC
Last Modified
29 October 2020
General Comment
2014-10-29 Metabolite of Diuron