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CHEBI:7957 - pencycuron

ChEBI IDCHEBI:7957
ChEBI Namepencycuron
Stars
DefinitionA member of the class of phenylureas that is urea which is substituted by p-chlorobenzyl and cyclopentyl groups at position 1 and a phenyl group at position 3. A fungicide used to control diseases caused by Rhizoctonia solani and Pellicularia spp. It is not highly toxic to mammals but is moderately toxic to birds, most aquatic organisms, honeybees and earthworms.
Last Modified10 December 2016
DownloadsMolfile
FormulaC19H21ClN2O
Net Charge0
Average Mass328.843
Monoisotopic Mass328.13424
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C19H21ClN2O/c20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKeyOGYFATSSENRIKG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
Application:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
ChEBI Ontology
Outgoing Relation(s)
pencycuron (CHEBI:7957) has functional parent aniline (CHEBI:17296)
pencycuron (CHEBI:7957) has role antifungal agrochemical (CHEBI:86328)
pencycuron (CHEBI:7957) is a monochlorobenzenes (CHEBI:83403)
pencycuron (CHEBI:7957) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(4-chlorobenzyl)-1-cyclopentyl-3-phenylurea
Synonyms  Source
N-((4-Chlorophenyl)methyl)-N-cyclopentyl-N'-phenylureaChemIDplus
1-(p-Chlorobenzyl)-1-cyclopentyl-3-phenylureaChemIDplus
[(Chlorophenyl)-methyl]-N-cyclopentyl-N'-phenylureaNIST Chemistry WebBook
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylureaNIST Chemistry WebBook
Brand Name  Source
MoncerenChemIDplus
Manual XrefsDatabases
C11012KEGG COMPOUND
PencycuronWikipedia
pencycuronAlan Wood's Pesticides
510PPDB
Registry NumbersSources
Reaxys:2154416Reaxys
CAS:66063-05-6KEGG COMPOUND
CAS:66063-05-6ChemIDplus
CAS:66063-05-6NIST Chemistry WebBook
Citations