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CHEBI:83468 - isoproturon-monodemethyl

ChEBI IDCHEBI:83468
ChEBI Nameisoproturon-monodemethyl
Stars
DefinitionA member of the class of phenylureas that is 1-methylurea substituted by a p-cumenyl group at position 3. It is a metabolite of the herbicide isoproturon.
Last Modified28 October 2020
DownloadsMolfile
FormulaC11H16N2O
Net Charge0
Average Mass192.262
Monoisotopic Mass192.12626
SMILESCNC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C11H16N2O/c1-8(2)9-4-6-10(7-5-9)13-11(14)12-3/h4-8H,1-3H3,(H2,12,13,14)
InChIKeyDOULWWSSZVEPIN-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)
isoproturon-monodemethyl (CHEBI:83468) has role marine xenobiotic metabolite (CHEBI:83399)
isoproturon-monodemethyl (CHEBI:83468) is a a 1-methyl-3-phenylurea (CHEBI:157694)
isoproturon-monodemethyl (CHEBI:83468) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-methyl-3-[4-(propan-2-yl)phenyl]urea
Synonym  Source
N'-(isopropylphenyl)-N-methylureaChEBI
UniProt Name  Source
1-methyl-3-[4-(propan-2-yl)phenyl]ureaUniProt
Registry NumbersSources
Reaxys:2970914Reaxys
CAS:34123-57-4ChemIDplus
Citations