| Entry |
|
|---|
| Name |
Valethamate bromide (JAN);
Shinmetane (TN) |
|---|
| Formula |
C19H32NO2. Br
|
|---|
| Exact mass |
385.1616
|
|---|
| Mol weight |
386.3669
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
|
|---|
| Remark |
|
|---|
| Efficacy |
Antispasmodic, Muscarinic acetylcholine receptor antagonist |
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Interaction |
|
|---|
| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
A03AX Other drugs for functional gastrointestinal disorders
A03AX14 Valethamate
D01538 Valethamate bromide (JAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG01491 Muscarinic cholinergic receptor antagonist
D01538 Valethamate bromide
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01538 Valethamate bromide (JAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 X Br 14.8400 -22.4000 #-
2 C1a C 11.4800 -21.0000
3 C1b C 12.6924 -20.3000
4 N1d N 13.9049 -21.0000 #+
5 C1b C 15.1173 -20.3000
6 C1b C 16.3297 -21.0000
7 O7a O 17.5422 -20.3000
8 C7a C 18.7546 -21.0000
9 C1c C 19.9670 -20.3000
10 C8y C 21.1795 -21.0000
11 C8x C 22.3919 -20.3000
12 C8x C 23.6044 -21.0000
13 C8x C 21.1795 -22.4000
14 C8x C 22.3919 -23.1000
15 C8x C 23.6044 -22.4000
16 C1c C 19.9670 -18.9001
17 C1a C 18.7418 -18.1926
18 C1b C 21.1667 -18.2074
19 C1a C 21.1669 -16.8003
20 O6a O 18.7546 -22.4000
21 C1b C 13.9049 -22.4000
22 C1a C 12.6925 -23.1000
23 C1a C 13.9049 -19.6000
BOND 22
1 2 3 1
2 3 4 1
3 4 5 1
4 5 6 1
5 6 7 1
6 7 8 1
7 8 9 1
8 9 10 1
9 10 11 2
10 11 12 1
11 10 13 1
12 13 14 2
13 14 15 1
14 15 12 2
15 9 16 1
16 16 17 1
17 16 18 1
18 18 19 1
19 8 20 2
20 4 21 1
21 21 22 1
22 4 23 1
|
|---|
