Entry |
|
Name |
Bucumolol hydrochloride (JP18) |
Formula |
C17H23NO4. HCl
|
Exact mass |
341.1394
|
Mol weight |
341.8298
|
Structure |
|
Class |
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
|
Efficacy |
Antiarrhythmic, Vasodilator, beta-Adrenergic receptor antagonist |
Comment |
Propranolol derivative
|
Target |
|
Pathway |
hsa04261 | Adrenergic signaling in cardiomyocytes |
|
Interaction |
|
Brite |
Drug groups [BR:br08330]
Cardiovascular agent
DG01466 Adrenergic receptor antagonist
DG01464 beta-Adrenergic receptor antagonist (Beta blocker)
D01492 Bucumolol hydrochloride
DG01653 Antiarrhythmics
DG01806 Class II antiarrhythmic agent
D01492 Bucumolol hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Rhodopsin family
Adrenaline
ADRB1
D01492 Bucumolol hydrochloride (JP18)
ADRB2
D01492 Bucumolol hydrochloride (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
Chemicals
D01492 Bucumolol hydrochloride
|
Other DBs |
|
KCF data |
ATOM 23
1 X Cl 29.6100 -17.0800
2 C8y C 19.6000 -15.7500
3 O2a O 19.6000 -14.3500
4 C1b C 20.7900 -13.7200
5 C1c C 21.9800 -14.4200
6 C1b C 23.2400 -13.7200
7 N1b N 24.4300 -14.4200
8 C1d C 25.6200 -13.7200
9 O1a O 21.9800 -15.8200
10 C1a C 26.8800 -14.4200
11 C1a C 25.6200 -12.3200
12 C1a C 26.8800 -13.0200
13 C8y C 15.9600 -16.4500
14 C8x C 15.9600 -17.8500
15 C8x C 17.1500 -18.5500
16 O7x O 17.1500 -15.7500
17 C8y C 18.3400 -16.4500
18 C8y C 18.3400 -17.8500
19 C8y C 19.5300 -18.5500
20 C8x C 20.7900 -17.9200
21 C8x C 20.7900 -16.5200
22 O6a O 14.7000 -15.7500
23 C1a C 19.5300 -20.0200
BOND 23
1 8 12 1
2 6 7 1
3 3 4 1
4 7 8 1
5 13 14 1
6 14 15 2
7 15 18 1
8 17 16 1
9 16 13 1
10 5 9 1
11 4 5 1
12 8 10 1
13 2 3 1
14 17 18 2
15 18 19 1
16 19 20 2
17 20 21 1
18 21 2 2
19 2 17 1
20 8 11 1
21 13 22 2
22 5 6 1
23 19 23 1
|