CHEBI:83514 - isoproturon-didemethyl

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ChEBI Name isoproturon-didemethyl
ChEBI ID CHEBI:83514
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H14N2O
Net Charge 0
Average Mass 178.23100
Monoisotopic Mass 178.11061
InChI InChI=1S/C10H14N2O/c1-7(2)8-3-5-9(6-4-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13)
InChIKey ABBKOIZWGCVCKE-UHFFFAOYSA-N
SMILES CC(C)c1ccc(NC(N)=O)cc1
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 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)-urea ChEBI
Registry Numbers Types Sources
2720648 Reaxys Registry Number Reaxys
56046-17-4 CAS Registry Number ChemIDplus
Last Modified
10 December 2016