IUPAC name
(3-phenoxyphenyl)methyl (1R,3S)-rel-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(c1)Oc1ccccc1.CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(c1)Oc1ccccc1
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
transpermethrin
IUPAC name
(3-phenoxyphenyl)methyl (1R,3S)-rel-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc1cccc(c1)Oc1ccccc1.CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)OCc1cccc(c1)Oc1ccccc1
INCHI
InChI=1S/2C21H20Cl2O3/c2*1-21(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/h2*3-12,17,19H,13H2,1-2H3/t2*17-,19+/m10/s1
FORMULA
C21H20Cl2O3
Common name
transpermethrin
IUPAC name
(3-phenoxyphenyl)methyl (1R,3S)-rel-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylate
Molecular weight
391.288
clogP
5.572
clogS
-5.770
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
35.53
Number of Rings
3
Rotatable Bond
7
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00006 | phenol |
|
c1ccc(cc1)O | 0.0897 |
| FDBF00023 | toluene |
|
c1(ccccc1)C | 0.1268 |
| FDBF02914 | m-cresol |
|
Oc1cc(ccc1)C | 0.0069 |
| FDBF03267 | methyl (1R)-2,2-dimethylcyclopropanecarboxylate |
|
C1(CC1C(=O)OC)(C)C | 0.0110 |
| FDBF03269 | methyl (1R,3S)-3-(2,2-dichlorovinyl)-2,2-dimethyl-cyclopropanecarboxylate |
|
C1(C(C1C(=O)OC)C=C(Cl)Cl)(C)C | 0.0021 |
| FDBF03270 | 1,1-dichloroethylene |
|
ClC(=C)Cl | 0.0072 |
| FDBF04528 | (1R)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H](C1)C(=O)O)C | 0.0141 |
| FDBF04664 | (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylic acid |
|
CC1([C@@H]([C@H]1C=C(Cl)Cl)C(=O)O)C | 0.0021 |
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