UCSF

ZINC01850376

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 26 No

Popular Name: Permethrin Permethrin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 52341-33-0, 52645-53-1 , 52645-53-1

Other Names:

(+)-CIS-PERMETHRIN

(+)-cis-Permethrin; (1R)-cis-Permethrin; AI3-29264; C21H20Cl2O3; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-(+)-; Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxypheny

(+)-trans-Permethrin

(+-)-3-Phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate; (3-Phenoxyphenyl)methyl (+-)cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate; (3-Phenoxyphenyl)methyl 3-(2,2-dichlorethenyl)-2,2-dimethylcyclopropanecarbo

(+-)-cis-Fmc 33297

(+-)-cis-Fmc 33297; (+-)-cis-Permethrin; 1RS,cis-Permethrin; AI3-29296; C21H20Cl2O3; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-(+-)-; FMC 35171; LS-58636; NRDC 148; Permethrin, (cis-(+-))-Isomer

(+-)-cis-Permethrin

(+-)-trans-Permethrin

(+-)-trans-Permethrin; 1RS-trans-Permethrin; BRN 4153590; C21H20Cl2O3; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, trans-(+-)-; LS-58640; NRDC 146; Permethrin, (trans-(+-))-Isomer; Transpermethrin; Tr

(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

(3-Phenoxyphenyl)methyl (+-)-cis,trans-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate; 3-(2,2-Dichloroethenyl)-2,2-dimethylcyclopropane carboxylic acid, (3-phenoxyphenyl) methyl ester; Permethrin

(3-phenoxyphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

1RS,cis-Permethrin

1RS-trans-Permethrin

3-phenoxybenzyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

3-Phenoxybenzyle (1RS)-cis, trans-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropane carboxylate

442748_SUPELCO

45614_FLUKA

45614_RIEDEL

45893_FLUKA

45893_RIEDEL

47956_SUPELCO

52341-32-9

52341-33-0

52645-53-1

52645-53-1; C14388; Permethrin

52645-53-1; D05443; Elimite (TN); Permethrin (USAN/INN)

AC1L23IC

AC1Q3FFG

Acticin Cream

AI3-29296

Ambush

BAN

BRN 4153590

C21H20Cl2O3

C21H20Cl2O3; CCRIS 3486; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-; EINECS 263-346-3; LS-58635; Permethrin, (cis)-Isomer; cis-Permethrin; m-Phenoxybenzyl cis-3-(2,2-dichlorovinyl)-2,2-dimethylc

CHEBI:34911

CHEMBL1525

CID40326

Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, cis-(+-)-

Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, trans-(+-)-

Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-cis)-

Cyclopropanecarboxylic acid, 3-(2,2-dichlorovinyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1R-trans)-

DAP001235

DB04930

Elimite

Elimite Cream

FDA

FMC 35171

INN

LS-58636

LS-58640

MFCD00041809

MLS001332525

MLS001332526

MolPort-003-933-021

NCGC00159390-00

NCGC00159390-02

NCGC00159390-04

NCGC00159390-05

NCGC00159390-06

NCGC00159390-07

NCGC00159390-08

NCGC00159390-09

Nix

Nix Cream Rinse

NRDC 146

NRDC 148

PerFoam

Permethrin (BAN

Permethrin (FDA

Permethrin (isomers)

Permethrin (isomers) solution

Permethrine,c&t

PS758_SUPELCO

SMR000778043

ST50975270

TL8003462

trans-(+-)-Permethrin

Transpermethrin

Transpermethrin [ISO]

USAN)

VECTRA-3D

[3-(phenyloxy)phenyl]methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 6.61 13.77 -6.72 0 3 0 36 391.294 7 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.91e-05 g/l DrugBank-approved
UniProt Database Links CP6B2_HELAM; EST2A_MOUSE; EST2E_MOUSE; PYRHY_KLESP; PYRHY_SPHWJ ChEBI
Therapy ectoparasiticide, CNS stimuant, mutagen SMDC Pharmakon
Patent Database Links EP1559321; EP1661886; EP1685843; EP1700845; EP1967067; US2004235959; US2006111403; US2007027154; US2007207222; US2007225336; US2007259834; US2007269467; US2008275061; WO2006023783; WO2006055922; WO2007089330; WO2007103687; WO2008150393; WO2008154528 ChEBI
Indications insecticide KeyOrganics Bioactives

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.