CHEBI:116509 - diuron

ChEBI IDCHEBI:116509
ChEBI Namediuron
Stars
DefinitionA member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the hydrogens attached to the other nitrogen is substituted by a 3,4-dichlorophenyl group.
Last Modified6 November 2023
DownloadsMolfile
FormulaC9H10Cl2N2O
Net Charge0
Average Mass233.098
Monoisotopic Mass232.01702
SMILESCN(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O/c1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyXMTQQYYKAHVGBJ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
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.
Applications:
urea herbicide  Any herbicide composed of urea or substituted urea substructure.
ChEBI Ontology
Outgoing Relation(s)
diuron (CHEBI:116509) has role environmental contaminant (CHEBI:78298)
diuron (CHEBI:116509) has role mitochondrial respiratory-chain inhibitor (CHEBI:25355)
diuron (CHEBI:116509) has role photosystem-II inhibitor (CHEBI:26089)
diuron (CHEBI:116509) has role urea herbicide (CHEBI:188147)
diuron (CHEBI:116509) has role xenobiotic (CHEBI:35703)
diuron (CHEBI:116509) is a 3-(3,4-substituted-phenyl)-1,1-dimethylurea (CHEBI:157693)
diuron (CHEBI:116509) is a dichlorobenzene (CHEBI:23697)
IUPAC Name 
3-(3,4-dichlorophenyl)-1,1-dimethylurea
Synonyms  Source
1,1-dimethyl-3-(3,4-dichlorophenyl)ureaChemIDplus
1-(3,4-dichlorophenyl)-3,3-dimethylureaChemIDplus
1-(3,4-dichlorophenyl)-3,3-dimethylureeChemIDplus
3-(3,4-Dichloro-phenyl)-1,1-dimethyl-ureaChEMBL
3-(3,4-Dichlor-phenyl)-1,1-dimethyl-harnstoffChemIDplus
DCMUChEBI
UniProt Name  Source
diuronUniProt
Manual XrefsDatabases
260PPDB
C18428KEGG COMPOUND
CN103120180Patent
CN103125511Patent
CPD-16775MetaCyc
diuronAlan Wood's Pesticides
DiuronWikipedia
LSM-25609LINCS
US2768971Patent
Registry NumbersSources
Reaxys:2215168Reaxys
CAS:330-54-1NIST Chemistry WebBook
CAS:330-54-1KEGG COMPOUND
CAS:330-54-1ChemIDplus
Citations