| Entry |
|
|---|
| Name |
Pentapiperium methylsulfate (USAN);
Pentapiperium metilsulfate (INN) |
|---|
| Formula |
C19H30NO2. CH3SO4
|
|---|
| Exact mass |
415.2029
|
|---|
| Mol weight |
415.55
|
|---|
| Structure |
|
|---|
| Efficacy |
Muscarinic acetylcholine receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D05418 Pentapiperium methylsulfate (USAN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 28
1 C1c C 22.8900 -20.5100
2 C1c C 24.0800 -21.1400
3 C8y C 22.8900 -19.1100
4 C7a C 21.7000 -21.2100
5 C1b C 25.2700 -20.4400
6 C1a C 24.1500 -22.5400
7 C8x C 24.0100 -18.4100
8 C8x C 21.6300 -18.4100
9 O7a O 20.5100 -20.5100
10 O6a O 21.7000 -22.6100
11 C1a C 26.4600 -21.1400
12 C8x C 24.0100 -17.0100
13 C8x C 21.6300 -17.0800
14 C1y C 19.3200 -21.2800
15 C8x C 22.8200 -16.3800
16 C1x C 18.1300 -20.5800
17 C1x C 16.9400 -21.2800
18 N2y N 16.8700 -22.6800 #+
19 C1x C 18.1300 -23.3800
20 C1x C 19.3200 -22.6100
21 C1a C 15.4000 -23.3800
22 C1a C 15.4700 -21.9800
23 S4a S 30.9400 -21.2100
24 O2a O 29.6100 -21.2100
25 O1d O 30.9400 -22.6100
26 O1d O 30.9400 -19.7400
27 O1d O 32.2700 -21.2100 #-
28 C1a C 28.9800 -20.0200
BOND 28
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 2
7 3 8 1
8 4 9 1
9 4 10 2
10 5 11 1
11 7 12 1
12 8 13 2
13 9 14 1
14 12 15 2
15 13 15 1
16 14 16 1
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 14 20 1
22 18 21 1
23 18 22 1
24 23 24 1
25 23 25 2
26 23 26 2
27 23 27 1
28 24 28 1
|
|---|
