| Entry |
|
|---|
| Name |
Diponium bromide (JAN/INN);
Dipenine bromide |
|---|
| Formula |
C20H38NO2. Br
|
|---|
| Exact mass |
403.2086
|
|---|
| Mol weight |
404.4252
|
|---|
| Structure |
|
|---|
| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
|
|---|
| Efficacy |
Antispasmodic |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
D01463 Diponium bromide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01463 Diponium bromide (JAN/INN)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 24
1 X Br 17.7800 -18.0600 #-
2 C1x C 24.5000 -21.8400
3 C1x C 25.9000 -21.8400
4 C1x C 26.3200 -20.5100
5 C1x C 25.2000 -19.6700
6 C1y C 24.0800 -20.5100
7 C1c C 22.8900 -19.8100
8 C7a C 21.6300 -20.5100
9 O7a O 20.4400 -19.8100
10 C1b C 19.2500 -20.5100
11 C1b C 17.9900 -19.8100
12 N1d N 16.8000 -20.5100 #+
13 C1b C 15.6100 -19.8100
14 C1a C 14.3500 -20.5100
15 O6a O 21.6300 -21.9100
16 C1y C 22.8900 -18.4100
17 C1x C 24.0100 -17.5700
18 C1x C 23.5900 -16.2400
19 C1x C 22.1900 -16.2400
20 C1x C 21.7000 -17.5700
21 C1b C 16.8000 -19.1100
22 C1a C 15.5876 -18.4100
23 C1b C 16.8000 -21.9100
24 C1a C 15.5876 -22.6100
BOND 24
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 2 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 8 15 2
15 7 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 16 20 1
21 12 21 1
22 21 22 1
23 12 23 1
24 23 24 1
|
|---|
