| Entry |
|
|---|
| Name |
Pipethanate ethobromide (JAN);
Panpurol (TN) |
|---|
| Formula |
C23H30NO3. Br
|
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| Exact mass |
447.1409
|
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| Mol weight |
448.39
|
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| Structure |
|
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| Simcomp |
|
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| Efficacy |
Antispasmodic, Muscarinic acetylcholine receptor antagonist |
|---|
| Target |
|
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| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
|
|---|
| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D01987 Pipethanate ethobromide (JAN)
|
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| Other DBs |
|
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| KCF data |
ATOM 28
1 X Br 29.3939 -21.4153 #-
2 C1x C 16.2372 -19.9456
3 N2y N 17.4493 -20.6455 #+
4 C1b C 18.6615 -19.9456
5 C1b C 19.8736 -20.6455
6 O7a O 21.0856 -19.9456
7 C7a C 22.2978 -20.6455
8 C1d C 23.5099 -19.9456
9 C8y C 24.7221 -20.6455
10 C8x C 25.9343 -19.9456
11 C1x C 15.0250 -20.6455
12 C1x C 15.0250 -22.0452
13 C1x C 16.2372 -22.7450
14 C1x C 17.4493 -22.0452
15 C8y C 23.5099 -18.5460
16 C8x C 24.7262 -17.8438
17 C8x C 24.7262 -16.4443
18 C8x C 23.5139 -15.7444
19 C8x C 22.2978 -16.4466
20 C8x C 22.2978 -17.8461
21 C8x C 24.7221 -22.0452
22 C8x C 25.9343 -22.7450
23 C8x C 27.1464 -22.0452
24 C8x C 27.1464 -20.6455
25 O1a O 24.7221 -19.2458
26 O6a O 22.2978 -22.0449
27 C1b C 17.4493 -19.2455
28 C1a C 16.2244 -18.5382
BOND 29
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 2 11 1
10 11 12 1
11 12 13 1
12 13 14 1
13 14 3 1
14 8 15 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 2
19 19 20 1
20 15 20 2
21 9 21 2
22 21 22 1
23 22 23 2
24 23 24 1
25 24 10 2
26 8 25 1
27 7 26 2
28 3 27 1
29 27 28 1
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