| Entry |
|
|---|
| Name |
Morantel citrate;
Exhelm (TN) |
|---|
| Formula |
C12H16N2S. C6H8O7
|
|---|
| Exact mass |
412.1304
|
|---|
| Mol weight |
412.46
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Remark |
|
|---|
| Efficacy |
Anthelmintic |
|---|
| Comment |
Tetrahydropyrimidine derivative
|
|---|
| Target |
nicotinic cholinergic receptor alpha3beta2 enhancer [KO: K04805 K04813] |
|---|
| Pathway |
| ko04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C2y C 20.3263 -12.0698
2 C2b C 21.5884 -11.3686
3 N1y N 20.3263 -13.4720
4 N2x N 19.1344 -11.3686
5 C2b C 22.7803 -12.0698
6 C1x C 19.1344 -14.1732
7 C1a C 21.5884 -14.1732
8 C1x C 17.9425 -12.0698
9 C8y C 23.9723 -11.3686
10 C1x C 17.9425 -13.4720
11 C8y C 23.9723 -9.9663
12 C1a C 22.7803 -9.2652
13 S2x S 25.3044 -11.7893
14 C8x C 26.1458 -10.6675
15 C8x C 25.3044 -9.5457
16 C1d C 33.3200 -10.7800
17 C1b C 32.1300 -11.4800
18 C1b C 34.5100 -11.4800
19 C6a C 34.0200 -9.5900
20 O1a O 32.6200 -9.5900
21 C6a C 30.9400 -10.8500
22 C6a C 34.5100 -12.8800
23 O6a O 33.3200 -8.4000
24 O6a O 35.4200 -9.5900
25 O6a O 29.6800 -11.5500
26 O6a O 30.9400 -9.4500
27 O6a O 35.7700 -13.5800
28 O6a O 33.3200 -13.5800
BOND 28
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 2
5 3 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 8 10 1
11 9 11 2
12 11 12 1
13 9 13 1
14 13 14 1
15 14 15 2
16 11 15 1
17 16 17 1
18 16 18 1
19 16 19 1
20 16 20 1
21 17 21 1
22 18 22 1
23 19 23 1
24 19 24 2
25 21 25 1
26 21 26 2
27 22 27 1
28 22 28 2
|
|---|
