| Entry |
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|---|
| Name |
Difemerine (INN) |
|---|
| Formula |
C20H25NO3
|
|---|
| Exact mass |
327.1834
|
|---|
| Mol weight |
327.42
|
|---|
| Structure |
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| Simcomp |
|
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| Remark |
|
|---|
| Efficacy |
Muscarinic acetylcholine receptor antagonist |
|---|
| 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
A03AA Synthetic anticholinergics, esters with tertiary amino group
A03AA09 Difemerine
D07079 Difemerine (INN)
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Acetylcholine (muscarinic)
CHRM
D07079 Difemerine (INN)
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 24
1 C1d C 19.4600 -23.9400
2 C8y C 20.6724 -24.6400
3 C7a C 18.2476 -24.6400
4 C8y C 19.4600 -22.5400
5 C8x C 20.6724 -21.8400
6 C8x C 20.6724 -20.4400
7 C8x C 19.4600 -19.7400
8 C8x C 18.2476 -20.4400
9 C8x C 18.2476 -21.8400
10 C8x C 20.6724 -26.0398
11 C8x C 21.8849 -26.7398
12 C8x C 23.0973 -26.0398
13 C8x C 23.0973 -24.6400
14 C8x C 21.8849 -23.9400
15 O1a O 20.6724 -23.2400
16 O7a O 17.0521 -23.9496
17 O6a O 18.2475 -26.0398
18 C1b C 15.8647 -24.6351
19 C1d C 14.6791 -23.9578
20 N1c N 13.4840 -24.6338
21 C1a C 12.2939 -23.9465
22 C1a C 13.4838 -26.0398
23 C1a C 14.0722 -22.6887
24 C1a C 15.4859 -22.7814
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1
4 4 5 2
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 2
9 4 9 1
10 2 10 2
11 10 11 1
12 11 12 2
13 12 13 1
14 13 14 2
15 2 14 1
16 1 15 1
17 3 16 1
18 3 17 2
19 16 18 1
20 18 19 1
21 19 20 1
22 20 21 1
23 20 22 1
24 19 23 1
25 19 24 1
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