CHEBI:4042 - cypermethrin

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name cypermethrin ChEBI ID CHEBI:4042 Definition A 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H19Cl2NO3 Net Charge 0 Average Mass 416.29660 Monoisotopic Mass 415.07420 InChI InChI=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 InChIKey KAATUXNTWXVJKI-UHFFFAOYSA-N SMILES CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 Roles Classification Biological Role(s): pyrethroid ester insecticide Application(s): molluscicide A substance used to destroy pests of the phylum Mollusca. pyrethroid ester insecticide pyrethroid ester acaricide agrochemical An agrochemical is a substance that is used in agriculture or horticulture. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources α-Cyano(3-phenoxyphenyl)methyl (±)cis,trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate ChemIDplus Cypermethrin KEGG COMPOUND Manual Xrefs Databases 197 VSDB 197 PPDB 4409 DrugCentral C10984 KEGG COMPOUND D07763 KEGG DRUG View more database links Registry Numbers Types Sources 52315-07-8 CAS Registry Number KEGG COMPOUND 52315-07-8 CAS Registry Number ChemIDplus Citations Types Sources 17420035 PubMed citation Europe PMC 18922205 PubMed citation Europe PMC 20508922 PubMed citation Europe PMC Last Modified 22 February 2017