Entry |
|
Name |
Phoxim (BAN); Sebacil [veterinary] (TN) |
Formula |
C12H15N2O3PS
|
Exact mass |
298.0541
|
Mol weight |
298.2979
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Anthelmintic (veterinary), Acetylcholinesterase inhibitor |
Comment |
organothiophosphate compound
|
Target |
acetylcholinesterase (AChE) [KO: K01049] |
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 19
1 C8x C 18.4112 -17.3618
2 C8x C 18.4112 -18.7619
3 C8x C 19.6237 -19.4620
4 C8x C 20.8363 -18.7619
5 C8y C 20.8363 -17.3618
6 C8x C 19.6237 -16.6617
7 C2c C 22.0739 -16.6617
8 N2b N 23.2865 -17.3618
9 O2b O 24.4990 -16.6617
10 P1a P 25.7116 -17.3618
11 C3b C 22.0801 -15.2619
12 S0 S 26.9242 -18.0618
13 O2b O 26.4116 -16.1492
14 O2b O 25.0115 -18.5743
15 C1b C 27.7919 -16.1495
16 C1a C 28.4828 -14.9537
17 C1b C 25.0115 -19.9744
18 C1a C 23.7942 -20.6774
19 N3a N 22.0801 -13.8617
BOND 19
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 5 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 7 11 1
12 10 12 2
13 10 13 1
14 10 14 1
15 13 15 1
16 15 16 1
17 14 17 1
18 17 18 1
19 11 19 3
|