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CHEBI:83514 - isoproturon-didemethyl

Default Structure
ChEBI IDCHEBI:83514
ChEBI Nameisoproturon-didemethyl
Stars
DefinitionA member of the class of phenylureas that is urea substituted by a p-cumenyl group at position 1. It is a metabolite of the herbicide isoproturon.
Last Modified10 December 2016
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILESCC(C)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
InChIKeyABBKOIZWGCVCKE-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-didemethyl (CHEBI:83514) has role marine xenobiotic metabolite (CHEBI:83399)
isoproturon-didemethyl (CHEBI:83514) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-[4-(propan-2-yl)phenyl]urea
Synonym  Source
N'-(4-isopropylphenyl)-ureaChEBI
Registry NumbersSources
Reaxys:2720648Reaxys
CAS:56046-17-4ChemIDplus