| Entry |
|
|---|
| Name |
Scopolamine butylbromide (JP18);
Butylscopolamine bromide;
Buscopan (TN) |
|---|
| Formula |
C21H30NO4. Br
|
|---|
| Exact mass |
439.1358
|
|---|
| Mol weight |
440.37
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
Gastrointestinal agent
DG01975 Agents for peptic ulcer
|
|---|
| Remark |
| Therapeutic category: | 1242 |
|
|---|
| Efficacy |
Antispasmodic, Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Tropane derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Structure map |
| map07220 | Cholinergic and anticholinergic drugs |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03B BELLADONNA AND DERIVATIVES, PLAIN
A03BB Belladonna alkaloids, semisynthetic, quaternary ammonium compounds
A03BB01 Butylscopolamine
D01451 Scopolamine butylbromide (JP18) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
1 Agents affecting nervous system and sensory organs
12 Agents affecting peripheral nervous system
124 Antispasmodics
1242 Atropines
D01451 Scopolamine butylbromide (JP18)
Classification of Japanese OTC drugs [BR:br08313]
Agents for digestive organs
15 Stomach pain and cramp relievers
D01451 Scopolamine butylbromide (JP18)
Risk category of Japanese OTC drugs [BR:br08312]
Second-class OTC drugs
Inorganic and organic chemicals
Scopolamine butylbromide
D01451 Scopolamine butylbromide (JP18)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
D01451 Scopolamine butylbromide
Gastrointestinal agent
DG01975 Agents for peptic ulcer
D01451 Scopolamine butylbromide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01451 Scopolamine butylbromide (JP18) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01451 Scopolamine butylbromide
Rx-to-OTC switch list in Japan [br08314.html]
D01451
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 27
1 C1y C 18.3400 -7.5600
2 C1y C 18.6200 -6.3700
3 C1y C 19.4600 -7.2800
4 O2x O 17.2900 -6.1600
5 C1y C 19.8100 -6.0900
6 N2y N 18.5500 -4.7600 #+
7 C1x C 21.3500 -7.2800
8 C1x C 21.0700 -6.0900
9 C1y C 22.3300 -7.7700
10 O7a O 23.3800 -8.6800
11 C7a C 24.7800 -8.6800
12 O6a O 25.4800 -9.8700
13 C1c C 25.4800 -7.4900
14 C8y C 26.8800 -7.4900
15 C8x C 27.5800 -8.6800
16 C8x C 28.9800 -8.6800
17 C8x C 29.6800 -7.4900
18 C8x C 28.9800 -6.3000
19 C8x C 27.5800 -6.3000
20 C1b C 24.7800 -6.2300
21 O1a O 25.4800 -5.0400
22 C1b C 17.2891 -5.3683
23 C1b C 16.1425 -4.5880
24 C1a C 18.5500 -3.3600
25 C1b C 14.8921 -5.1918
26 C1a C 13.7415 -4.4089
27 X Br 16.4500 -3.0800 #-
BOND 29
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 3 7 1
7 5 8 1
8 7 9 1
9 9 10 1 #Down
10 2 4 1
11 5 6 1
12 8 9 1
13 10 11 1
14 11 12 2
15 11 13 1
16 13 14 1
17 14 15 2
18 15 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 14 19 1
23 13 20 1 #Down
24 20 21 1
25 6 22 1
26 22 23 1
27 6 24 1
28 23 25 1
29 25 26 1
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