| Entry |
|
|---|
| Name |
Coumafos (INN);
Coumaphos;
Meldane (TN) |
|---|
| Formula |
C14H16ClO5PS
|
|---|
| Exact mass |
362.0145
|
|---|
| Mol weight |
362.7656
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anthelmintic (veterinary), Antiparasitic (veterinary), Acetylcholinesterase inhibitor |
|---|
| Comment |
Organophosphorous compound, Phosphorothioate
|
|---|
| Target |
acetylcholinesterase (AChE) [KO: K01049] |
|---|
| Pathway |
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 22
1 C8x C 23.5200 -16.8000
2 C8x C 23.5200 -19.6700
3 C8y C 22.3300 -18.9700
4 C8y C 22.3300 -17.5700
5 O7x O 21.1400 -16.8000
6 C8y C 19.8800 -17.5000
7 C8y C 19.8800 -18.9000
8 C8y C 21.1400 -19.6000
9 C8y C 24.7800 -17.5700
10 C8x C 24.7800 -18.9700
11 O2b O 25.9700 -16.8000
12 P1a P 27.1600 -17.5700
13 O2b O 27.1600 -18.9700
14 C1b C 28.4200 -19.6700
15 C1a C 29.6100 -18.9700
16 O2b O 28.4200 -16.8000
17 C1b C 28.4200 -15.4700
18 C1a C 27.1600 -14.7700
19 S0 S 25.9700 -18.2700
20 C1a C 21.1400 -21.0700
21 X Cl 18.6900 -19.6700
22 O6a O 18.6900 -16.8000
BOND 23
1 9 10 1
2 12 11 1
3 11 9 1
4 2 10 2
5 3 4 2
6 4 5 1
7 5 6 1
8 12 13 1
9 13 14 1
10 14 15 1
11 16 12 1
12 6 7 1
13 16 17 1
14 7 8 2
15 17 18 1
16 8 3 1
17 12 19 2
18 9 1 2
19 8 20 1
20 1 4 1
21 7 21 1
22 3 2 1
23 6 22 2
|
|---|
