| Entry |
|
|---|
| Name |
Diacetolol hydrochloride (USAN) |
|---|
| Formula |
C16H24N2O4. HCl
|
|---|
| Exact mass |
344.1503
|
|---|
| Mol weight |
344.83
|
|---|
| Structure |
|
|---|
| Simcomp |
|
|---|
| Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
|
|---|
| Efficacy |
Antiarrhythmic, beta-Adrenergic receptor antagonist |
|---|
| Comment |
Propranolol derivative
|
|---|
| Target |
|
|---|
| Pathway |
| hsa04080 | Neuroactive ligand-receptor interaction |
| hsa04261 | Adrenergic signaling in cardiomyocytes |
|
|---|
| Interaction |
|
|---|
| Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
D03759 Diacetolol hydrochloride
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
D03759 Diacetolol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB
D03759 Diacetolol hydrochloride (USAN)
|
|---|
| Other DBs |
|
|---|
| KCF data |
ATOM 23
1 C8y C 30.8733 -17.2924
2 C8y C 29.6830 -17.9925
3 C8x C 32.1334 -17.9925
4 O2a O 30.8733 -15.8922
5 C8x C 29.6830 -19.3927
6 C5a C 28.4229 -17.2924
7 C8x C 32.1334 -19.3227
8 C1b C 32.0634 -15.1921
9 C8y C 30.9433 -20.0929
10 C1a C 27.2326 -17.9925
11 O5a O 28.4229 -15.8922
12 C1c C 33.2537 -15.8222
13 N1b N 30.9433 -21.4932
14 C1b C 34.5138 -15.1220
15 O1a O 33.2537 -17.2224
16 C5a C 29.7530 -22.1932
17 N1b N 35.7041 -15.8222
18 C1a C 28.4929 -21.4932
19 O5a O 29.7530 -23.5935
20 C1c C 36.8942 -15.1220
21 C1a C 38.1545 -15.7522
22 C1a C 36.8942 -13.7219
23 X Cl 40.8150 -19.5328
BOND 22
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 5 9 1
9 6 10 1
10 6 11 2
11 8 12 1
12 9 13 1
13 12 14 1
14 12 15 1
15 13 16 1
16 14 17 1
17 16 18 1
18 16 19 2
19 17 20 1
20 20 21 1
21 20 22 1
22 7 9 2
|
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