| Entry |
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| Name |
Otilonium bromide (INN) |
|---|
| Formula |
C29H43N2O4. Br
|
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| Exact mass |
562.2406
|
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| Mol weight |
563.57
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Antispasmodic, 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
A03AB06 Otilonium bromide
D07083 Otilonium bromide (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D07083 Otilonium bromide (INN)
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| Other DBs |
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| KCF data |
ATOM 36
1 C8x C 37.3905 -17.3360
2 C8x C 37.3907 -15.9392
3 C8x C 36.1813 -15.2408
4 C8y C 34.9715 -15.9389
5 C8y C 34.9713 -17.3357
6 C8x C 36.1810 -18.0343
7 O2a O 33.7369 -15.2405
8 C1b C 32.5271 -15.9387
9 C1b C 31.3176 -15.2403
10 C1b C 30.1079 -15.9385
11 C1b C 28.8983 -15.2400
12 C1b C 27.6886 -15.9383
13 C1b C 26.4791 -15.2398
14 C1b C 25.2693 -15.9381
15 C1a C 24.0598 -15.2395
16 C5a C 33.7366 -18.0340
17 N1b N 32.5269 -17.3355
18 C8y C 31.3173 -18.0338
19 O5a O 33.7303 -19.4305
20 C8x C 30.1056 -17.3340
21 C8x C 28.8960 -18.0324
22 C8y C 28.8958 -19.4292
23 C8x C 30.1075 -20.1288
24 C8x C 31.3171 -19.4306
25 C7a C 27.6604 -20.1286
26 O7a O 26.4508 -19.4301
27 C1b C 25.2412 -20.1284
28 C1b C 24.0316 -19.4298
29 N1d N 22.8219 -20.1281 #+
30 O6a O 27.6544 -21.5250
31 C1b C 22.1189 -18.9104
32 C1a C 21.6043 -20.8311
33 C1b C 23.5249 -21.3457
34 C1a C 20.7274 -18.9103
35 C1a C 22.8218 -22.5635
36 X Br 16.4388 -20.1274 #-
BOND 36
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 13 14 1
15 14 15 1
16 5 16 1
17 16 17 1
18 17 18 1
19 16 19 2
20 18 20 2
21 20 21 1
22 21 22 2
23 22 23 1
24 23 24 2
25 18 24 1
26 22 25 1
27 25 26 1
28 26 27 1
29 27 28 1
30 28 29 1
31 25 30 2
32 29 31 1
33 29 32 1
34 29 33 1
35 31 34 1
36 33 35 1
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