| Entry |
|
|---|
| Name |
Chlorpyrifos (BAN);
Zodiac (TN) |
|---|
| Formula |
C9H11Cl3NO3PS
|
|---|
| Exact mass |
348.9263
|
|---|
| Mol weight |
350.58
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Insecticide, Acetylcholinesterase inhibitor |
|---|
| Target |
acetylcholinesterase (AChE) [KO: K01049] |
|---|
| Pathway |
|
|---|
| Brite |
Classification of Japanese OTC drugs [BR:br08313]
Agents for sanitation
82 Pesticides
D07688 Chlorpyrifos (BAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 18
1 O2b O 24.7800 -16.8700
2 C1b C 27.2300 -15.4700
3 C1a C 25.9700 -14.7700
4 P1a P 25.9700 -17.5700
5 O2b O 25.9700 -18.9700
6 C1b C 27.1600 -19.6700
7 C1a C 28.4200 -18.9700
8 O2b O 27.1600 -16.8700
9 S0 S 24.7800 -18.2700
10 C8y C 23.5900 -17.5700
11 C8y C 22.4000 -16.8700
12 C8x C 21.1400 -17.5700
13 C8y C 21.1400 -18.9700
14 C8y C 22.3300 -19.6700
15 N5x N 23.5900 -18.9700
16 X Cl 22.3300 -21.0700
17 X Cl 19.9500 -19.6700
18 X Cl 22.4000 -15.4700
BOND 18
1 1 4 1
2 8 2 1
3 2 3 1
4 4 5 1
5 5 6 1
6 6 7 1
7 8 4 1
8 4 9 2
9 1 10 1
10 10 11 2
11 11 12 1
12 12 13 2
13 13 14 1
14 14 15 2
15 10 15 1
16 14 16 1
17 13 17 1
18 11 18 1
|
|---|
