| Entry |
|
|---|
| Name |
Strychnine nitrate |
|---|
| Formula |
C21H23N2O2. NO3
|
|---|
| Exact mass |
397.1638
|
|---|
| Mol weight |
397.42
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Efficacy |
Convulsant inducer, Rodenticide, Glycine receptor alpha-1 antagonist |
|---|
| Comment |
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Risk category of Japanese OTC drugs [BR:br08312]
First-class OTC drugs
Inorganic and organic chemicals
Strychnine
D10470 Strychnine nitrate
Target-based classification of drugs [BR:br08310]
Ion channels
Ligand-gated ion channels
Glycine
GLRA1
D10470 Strychnine nitrate
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 29
1 C1z C 8.1900 -16.7300
2 C1y C 8.9600 -17.7800
3 C1y C 8.8200 -15.5400
4 C8y C 6.9300 -17.1500
5 C1x C 6.7900 -16.1000
6 C1y C 10.2200 -17.7800
7 N1y N 8.1900 -18.8300
8 N2y N 7.9800 -14.3500 #+
9 C1x C 10.0800 -15.5400
10 C8y C 6.9300 -18.4800
11 C8x C 5.8100 -16.4500
12 C1x C 6.6500 -14.4900
13 C1y C 10.7800 -16.4500
14 C1y C 10.8500 -18.8300
15 C5x C 8.6800 -20.0200
16 C1x C 11.4100 -14.9800
17 C8x C 5.8100 -19.1100
18 C8x C 4.6200 -17.1500
19 C2y C 12.0400 -16.1700
20 C1x C 10.0100 -20.1600
21 O2x O 12.1100 -19.1100
22 O5x O 7.9100 -21.1400
23 C8x C 4.6200 -18.4100
24 C2x C 13.0900 -16.9400
25 C1x C 13.1600 -18.2700
26 N2b N 16.3100 -18.4100 #+
27 O3a O 17.5224 -19.1100 #-
28 O3a O 14.8176 -19.0400 #-
29 O3a O 16.3100 -17.0100
BOND 34
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1 #Up
8 3 9 1
9 4 10 1
10 4 11 2
11 5 12 1
12 6 13 1
13 6 14 1
14 7 15 1
15 8 16 1
16 10 17 2
17 11 18 1
18 13 19 1
19 14 20 1
20 14 21 1
21 15 22 2
22 17 23 1
23 19 24 2
24 21 25 1
25 7 10 1
26 8 12 1
27 9 13 1
28 15 20 1
29 16 19 1
30 18 23 2
31 24 25 1
32 26 27 1
33 26 28 1
34 26 29 2
|
|---|
