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> Main
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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Molfile
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.
View more via ChEBI Ontology
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