| Entry |
|
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| Name |
Bevonium methylsulfate (JAN);
Bevonium metilsulfate (INN);
Bevonium methyl sulfate |
|---|
| Formula |
C22H28NO3. CH3SO4
|
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| Exact mass |
465.1821
|
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| Mol weight |
465.56
|
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| Structure |
|
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| Simcomp |
|
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| Remark |
|
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| Efficacy |
Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Quaternary ammonium compound
|
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| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
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| 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
A03AB13 Bevonium
D01532 Bevonium methylsulfate (JAN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01532 Bevonium methylsulfate (JAN)
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| Other DBs |
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| KCF data |
ATOM 32
1 C8x C 19.8890 -18.4372
2 C8x C 19.8890 -19.8393
3 C8x C 21.1062 -20.5404
4 C8x C 22.3162 -19.8393
5 C8y C 22.3162 -18.4372
6 C8x C 21.1062 -17.7363
7 C1d C 23.5310 -17.7373
8 C8y C 24.7447 -18.4391
9 C7a C 23.5320 -16.3352
10 C8x C 24.7381 -19.8391
11 C8x C 25.9518 -20.5412
12 C8x C 27.1664 -19.8410
13 C8x C 27.1674 -18.4389
14 C8x C 25.9538 -17.7371
15 O7a O 24.7467 -15.6351
16 O6a O 22.3184 -15.6333
17 C1b C 24.7478 -14.2330
18 C1y C 25.9625 -13.5329
19 N2y N 27.1708 -14.2381 #+
20 C1x C 28.3855 -13.5380
21 C1x C 28.3866 -12.1359
22 C1x C 27.1730 -11.4342
23 C1x C 25.9583 -12.1341
24 C1a C 25.9505 -14.9253
25 C1a C 28.3793 -14.9322
26 O1a O 22.3185 -17.0373
27 S4a S 32.9136 -18.6860
28 O1d O 32.9136 -17.2842
29 O1d O 32.9136 -20.0877
30 O2a O 31.5118 -18.6860
31 O1d O 34.3152 -18.6860 #-
32 C1a C 30.8311 -17.5066
BOND 33
1 5 7 1
2 9 15 1
3 9 16 2
4 7 8 1
5 15 17 1
6 1 2 2
7 17 18 1
8 7 9 1
9 2 3 1
10 3 4 2
11 4 5 1
12 5 6 2
13 18 19 1
14 19 20 1
15 20 21 1
16 21 22 1
17 22 23 1
18 23 18 1
19 6 1 1
20 19 24 1
21 8 10 2
22 19 25 1
23 10 11 1
24 11 12 2
25 12 13 1
26 13 14 2
27 14 8 1
28 7 26 1
29 27 28 2
30 27 29 2
31 27 30 1
32 27 31 1
33 30 32 1
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