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CHEBI:5014 - fenvalerate

ChEBI IDCHEBI:5014
ChEBI Namefenvalerate
Stars
DefinitionA carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol.
Last Modified24 October 2014
DownloadsMolfile
FormulaC25H22ClNO3
Net Charge0
Average Mass419.908
Monoisotopic Mass419.12882
SMILESCC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKeyNYPJDWWKZLNGGM-UHFFFAOYSA-N
Roles Classification
Biological Role:
Applications:
ChEBI Ontology
Outgoing Relation(s)
fenvalerate (CHEBI:5014) has functional parent 2-(4-chlorophenyl)-3-methylbutyric acid (CHEBI:39345)
fenvalerate (CHEBI:5014) has role pyrethroid ester acaricide (CHEBI:39259)
fenvalerate (CHEBI:5014) has role pyrethroid ester insecticide (CHEBI:39116)
fenvalerate (CHEBI:5014) is a aromatic ether (CHEBI:35618)
fenvalerate (CHEBI:5014) is a carboxylic ester (CHEBI:33308)
fenvalerate (CHEBI:5014) is a monochlorobenzenes (CHEBI:83403)
Incoming Relation(s)
esfenvalerate (CHEBI:39346) is a fenvalerate (CHEBI:5014)
IUPAC Name 
cyano(3-phenoxyphenyl)methyl 2-(4-chlorophenyl)-3-methylbutanoate
Synonyms  Source
FenvalerateKEGG COMPOUND
phenvalerateChEBI
PydrinKEGG COMPOUND
α-cyano-3-phenoxybenzyl 2-(4-chlorophenyl)-3-methylbutyrateChEBI
α-cyano-(3-phenoxyphenyl)methyl-4-chloro-α-(1-methylethyl)benzeneacetateChemIDplus
α-cyano-m-phenoxybenzyl 2-(p-chlorophenyl)-3-methylbutyrateChEBI
Manual XrefsDatabases
314VSDB
314PPDB
C10988KEGG COMPOUND
D07952KEGG DRUG
Registry NumbersSources
Reaxys:2025982Reaxys
CAS:51630-58-1KEGG COMPOUND
CAS:51630-58-1ChemIDplus