CHEBI:4042 - cypermethrin

ChEBI IDCHEBI:4042
ChEBI Namecypermethrin
Stars
DefinitionA carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyphenyl)acetonitrile.
Last Modified22 February 2017
DownloadsMolfile
FormulaC22H19Cl2NO3
Net Charge0
Average Mass416.304
Monoisotopic Mass415.07420
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
InChIKeyKAATUXNTWXVJKI-UHFFFAOYSA-N
Roles Classification
Biological Role:
Applications:
molluscicide  A substance used to destroy pests of the phylum Mollusca.
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
ChEBI Ontology
Outgoing Relation(s)
cypermethrin (CHEBI:4042) has functional parent 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39308)
cypermethrin (CHEBI:4042) has role agrochemical (CHEBI:33286)
cypermethrin (CHEBI:4042) has role molluscicide (CHEBI:33904)
cypermethrin (CHEBI:4042) has role pyrethroid ester acaricide (CHEBI:39259)
cypermethrin (CHEBI:4042) has role pyrethroid ester insecticide (CHEBI:39116)
cypermethrin (CHEBI:4042) is a aromatic ether (CHEBI:35618)
cypermethrin (CHEBI:4042) is a cyclopropanecarboxylate ester (CHEBI:50351)
cypermethrin (CHEBI:4042) is a nitrile (CHEBI:18379)
cypermethrin (CHEBI:4042) is a organochlorine compound (CHEBI:36683)
IUPAC Name 
cyano(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Synonyms  Source
CypermethrinKEGG COMPOUND
α-Cyano(3-phenoxyphenyl)methyl (±)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylateChemIDplus
Manual XrefsDatabases
197VSDB
197PPDB
4409DrugCentral
C10984KEGG COMPOUND
D07763KEGG DRUG
Registry NumbersSources
CAS:52315-07-8ChemIDplus
CAS:52315-07-8KEGG COMPOUND
Citations