| Entry |
|
|---|
| Name |
Pipenzolate bromide (INN) |
|---|
| Formula |
C22H28NO3. Br
|
|---|
| Exact mass |
433.1253
|
|---|
| Mol weight |
434.3666
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| 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
A03AB14 Pipenzolate
D07084 Pipenzolate bromide (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D07084 Pipenzolate bromide (INN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 27
1 C8x C 19.6299 -11.6776
2 C8x C 20.8363 -10.9674
3 C8x C 22.0432 -11.6377
4 C8x C 22.0792 -13.0786
5 C8y C 20.8727 -13.7888
6 C8x C 19.6303 -13.0582
7 C1d C 20.8732 -15.1694
8 C8y C 22.0801 -15.8398
9 C8x C 23.2866 -15.1295
10 C8x C 24.5290 -15.8602
11 C8x C 24.5294 -17.2408
12 C8x C 23.3230 -17.9510
13 C8x C 22.0461 -17.2806
14 C7a C 19.6668 -15.8796
15 O7a O 18.4599 -15.2093
16 O6a O 19.6673 -17.2602
17 C1y C 17.2593 -15.9293
18 C1x C 16.0268 -15.2448
19 N2y N 14.8263 -15.9648 #+
20 C1x C 14.8495 -17.3645
21 C1x C 16.0820 -18.0491
22 C1x C 17.2826 -17.3290
23 C1b C 13.6382 -16.6773
24 C1a C 12.4077 -15.9938
25 C1a C 14.1075 -14.7664
26 O1a O 22.0857 -14.4694
27 X Br 15.9590 -12.6694 #-
BOND 28
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 5 7 1
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 2
12 11 12 1
13 12 13 2
14 8 13 1
15 7 14 1
16 14 15 1
17 14 16 2
18 15 17 1
19 17 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 21 22 1
24 17 22 1
25 19 23 1
26 23 24 1
27 19 25 1
28 7 26 1
|
|---|
