CHEBI:83468 - isoproturon-monodemethyl

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ChEBI Name isoproturon-monodemethyl
ChEBI ID CHEBI:83468
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C11H16N2O
Net Charge 0
Average Mass 192.25750
Monoisotopic Mass 192.12626
InChI InChI=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)
InChIKey DOULWWSSZVEPIN-UHFFFAOYSA-N
SMILES CNC(=O)Nc1ccc(cc1)C(C)C
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-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
Synonyms Sources
1-methyl-3-[4-(propan-2-yl)phenyl]urea UniProt
N'-(isopropylphenyl)-N-methylurea ChEBI
Registry Numbers Types Sources
2970914 Reaxys Registry Number Reaxys
34123-57-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
16332769 PubMed citation Europe PMC
Last Modified
28 October 2020
General Comment
2014-10-29 Metabolite of Isoproturon