Substance Information
| In ZINC since |
Heavy atoms |
Benign functionality |
| October 9th, 2004 |
26 |
No
|
Other Names:
(+)-CIS-PERMETHRIN
(+)-trans-Permethrin
(+-)-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
(-)-cis-permethrin; (1S,3S)-cis-permethrin; CPD-13115; cis-permethrin
(-)-cis-Permethrin; 1S-cis-Permethrin; C21H20Cl2O3; Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, (3-phenoxyphenyl)methyl ester, (1S-cis)-; LS-58637; Permethrin, (1S-cis)-Isomer
(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
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
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 |
-6.43 |
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 |
No pre-computed analogs available. Try a structural similarity search.
