| Entry |
|
|---|
| Name |
Penthienate bromide (NF XIII) |
|---|
| Formula |
C18H30NO3S. Br
|
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| Exact mass |
419.113
|
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| Mol weight |
420.4047
|
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| Structure |
|
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| Remark |
|
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| Efficacy |
Muscarinic acetylcholine receptor antagonist |
|---|
| Comment |
Quaternary ammonium compound
|
|---|
| Target |
|
|---|
| 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
A03AB04 Penthienate
D07081 Penthienate bromide (NF XIII)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D07081 Penthienate bromide (NF XIII)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 24
1 X Br 13.0500 -20.3065 #-
2 C1d C 18.4100 -22.8200
3 C1y C 19.6224 -23.5200
4 C7a C 17.1976 -23.5200
5 C8y C 18.4100 -21.4200
6 S2x S 19.5426 -20.5971
7 C8x C 19.1100 -19.2656
8 C8x C 17.7100 -19.2656
9 C8x C 17.2774 -20.5971
10 O1a O 19.6224 -22.1200
11 C1x C 19.5661 -24.9196
12 C1x C 20.8767 -25.4045
13 C1x C 21.7429 -24.3078
14 C1x C 20.9676 -23.1451
15 O7a O 16.0021 -22.8296
16 O6a O 17.1975 -24.9198
17 C1b C 14.8147 -23.5151
18 C1b C 13.6235 -22.8271
19 N1d N 12.4340 -23.5138 #+
20 C1a C 11.2216 -24.2138
21 C1b C 11.7340 -22.3014
22 C1b C 13.1340 -24.7262
23 C1a C 14.5599 -24.7265
24 C1a C 10.3603 -22.3019
BOND 24
1 2 3 1
2 2 4 1
3 2 5 1
4 5 6 1
5 6 7 1
6 7 8 2
7 8 9 1
8 5 9 2
9 2 10 1
10 3 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 3 14 1
15 4 15 1
16 4 16 2
17 15 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 19 21 1
22 19 22 1
23 22 23 1
24 21 24 1
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