| Entry |
|
|---|
| Name |
Diphemanil metilsulfate (INN);
Diphemanil methylsulfate;
Prantal (TN) |
|---|
| Formula |
C20H24N. CH3SO4
|
|---|
| Exact mass |
389.1661
|
|---|
| Mol weight |
389.5084
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Efficacy |
Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Quaternary ammonium compound
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor 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
A03AB Synthetic anticholinergics, quaternary ammonium compounds
A03AB15 Diphemanil
D06878 Diphemanil metilsulfate (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM3
D06878 Diphemanil metilsulfate (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 S4a S 24.4300 -17.6400
2 O2a O 23.1000 -17.6400
3 O1d O 24.4300 -18.9000
4 O1d O 24.4300 -16.0300
5 O1d O 25.8300 -17.6400 #-
6 C1a C 22.4000 -16.5200
7 C8x C 12.6700 -19.4600
8 C8x C 12.6700 -20.8600
9 C8x C 13.8824 -21.5600
10 C8x C 15.0949 -20.8600
11 C8y C 15.0949 -19.4600
12 C8x C 13.8824 -18.7600
13 C2c C 16.3260 -18.7490
14 C8y C 17.5312 -19.4447
15 C8x C 17.5316 -20.8596
16 C8x C 18.7442 -21.5593
17 C8x C 19.9565 -20.8589
18 C8x C 19.9560 -19.4439
19 C8x C 18.7434 -18.7443
20 C2y C 16.3257 -17.3601
21 C1x C 17.5262 -16.6666
22 C1x C 17.5259 -15.2666
23 N2y N 16.3133 -14.5669 #+
24 C1x C 15.1128 -15.2604
25 C1x C 15.1131 -16.6604
26 C1a C 15.5878 -13.3606
27 C1a C 17.1640 -13.4506
BOND 28
1 1 2 1
2 1 3 2
3 1 4 2
4 1 5 1
5 2 6 1
6 7 8 2
7 8 9 1
8 9 10 2
9 10 11 1
10 11 12 2
11 7 12 1
12 11 13 1
13 13 14 1
14 14 15 2
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 14 19 1
20 13 20 2
21 20 21 1
22 21 22 1
23 22 23 1
24 23 24 1
25 24 25 1
26 20 25 1
27 23 26 1
28 23 27 1
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