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CHEBI:34911 - permethrin

ChEBI IDCHEBI:34911
ChEBI Namepermethrin
Stars
DefinitionA cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimethyl groups.
Last Modified22 February 2017
DownloadsMolfile

FormulaC21H20Cl2O3
Net Charge0
Average Mass391.294
Monoisotopic Mass390.07895
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3
InChIKeyRLLPVAHGXHCWKJ-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
INN  Source
permethrinChemIDplus
Synonyms  Source
PermethrinKEGG COMPOUND
(3-Phenoxyphenyl)methyl (±)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylateChemIDplus
3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl esterChemIDplus
Manual XrefsDatabases
C14388KEGG COMPOUND
PermethrinWikipedia
DB04930DrugBank
D05443KEGG DRUG
4152DrugCentral
515PPDB
515VSDB
Registry NumbersSources
Reaxys:5765325Reaxys
CAS:52645-53-1KEGG COMPOUND
CAS:52645-53-1ChemIDplus
Citations