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CHEBI:34911 - permethrin

Default Structure
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
Biological Role:
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
scabicide  An acaricide that kills mites of the genus Sarcoptes.
ChEBI Ontology
Outgoing Relation(s)
permethrin (CHEBI:34911) has functional parent 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid (CHEBI:39308)
permethrin (CHEBI:34911) has role agrochemical (CHEBI:33286)
permethrin (CHEBI:34911) has role antibacterial drug (CHEBI:36047)
permethrin (CHEBI:34911) has role antiparasitic agent (CHEBI:35442)
permethrin (CHEBI:34911) has role ectoparasiticide (CHEBI:38956)
permethrin (CHEBI:34911) has role pyrethroid ester acaricide (CHEBI:39259)
permethrin (CHEBI:34911) has role pyrethroid ester insecticide (CHEBI:39116)
permethrin (CHEBI:34911) has role scabicide (CHEBI:73333)
permethrin (CHEBI:34911) is a cyclopropanecarboxylate ester (CHEBI:50351)
permethrin (CHEBI:34911) is a cyclopropanes (CHEBI:51454)
permethrin (CHEBI:34911) is a organic molecular entity (CHEBI:50860)
permethrin (CHEBI:34911) is a racemate (CHEBI:60911)
Incoming Relation(s)
trans-permethrin (CHEBI:62521) is a permethrin (CHEBI:34911)
IUPAC Name 
3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
INNs  Source
permethrinChemIDplus
permethrineWHO MedNet
permetrinaWHO MedNet
Synonyms  Source
3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl esterChemIDplus
(3-Phenoxyphenyl)methyl (±)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylateChemIDplus
Activyl tick plusChEMBL
NSC-760105ChEMBL
PermethrinKEGG COMPOUND
Brand Names  Source
ElimiteChEMBL
LyclearChEMBL
LythrinChEMBL
NixChEMBL
Permethrin component of activyl tick plusChEMBL
Permethrin component of vectra 3dChEMBL
Manual XrefsDatabases
4152DrugCentral
515VSDB
515PPDB
C14388KEGG COMPOUND
D05443KEGG DRUG
DB04930DrugBank
PermethrinWikipedia
Registry NumbersSources
Reaxys:5765325Reaxys
CAS:52645-53-1ChemIDplus
CAS:52645-53-1KEGG COMPOUND
Citations