| Entry |
|
|---|
| Name |
Fenvalerate (BAN);
Acadrex (TN) |
|---|
| Formula |
C25H22ClNO3
|
|---|
| Exact mass |
419.1288
|
|---|
| Mol weight |
419.9001
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Antiparasitic, Insecticide |
|---|
| Comment |
Pyrethroid
|
|---|
| Target |
voltage-gated sodium channel [KO: K04834] |
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 30
1 C8y C 21.5328 -18.3147
2 C8x C 21.5328 -16.9167
3 C8x C 20.3444 -16.2177
4 C8y C 19.0862 -16.9167
5 C8x C 19.0862 -18.3147
6 C8x C 20.3444 -19.0138
7 C8y C 32.4374 -19.0138
8 C8x C 32.4375 -20.4118
9 C8x C 33.6257 -21.1108
10 C8x C 34.8140 -20.4118
11 C8x C 34.8140 -19.0138
12 C8x C 33.6257 -18.3147
13 C8y C 27.5443 -19.0138
14 C8x C 27.5443 -20.4118
15 C8x C 28.8025 -21.1108
16 C8x C 29.9908 -20.4118
17 C8y C 29.9908 -19.0138
18 C8x C 28.8025 -18.3147
19 O2a O 31.1792 -18.3147
20 C1c C 26.3560 -18.3147
21 O7a O 25.1676 -19.0138
22 C7a C 23.9793 -18.3147
23 C1c C 22.7211 -19.0138
24 X Cl 17.8979 -16.2177
25 C1c C 22.7211 -20.4118
26 C1a C 23.9793 -21.1108
27 C1a C 21.5328 -21.1108
28 O6a O 23.9794 -16.9167
29 C3b C 26.3560 -16.9167
30 N3a N 26.3560 -15.5187
BOND 32
1 4 5 2
2 13 14 2
3 14 15 1
4 15 16 2
5 16 17 1
6 17 18 2
7 18 13 1
8 5 6 1
9 17 19 1
10 19 7 1
11 7 8 2
12 13 20 1
13 8 9 1
14 20 21 1
15 9 10 2
16 21 22 1
17 10 11 1
18 22 23 1
19 23 1 1
20 11 12 2
21 4 24 1
22 12 7 1
23 23 25 1
24 6 1 2
25 25 26 1
26 25 27 1
27 1 2 1
28 22 28 2
29 2 3 2
30 20 29 1
31 3 4 1
32 29 30 3
|
|---|
