KEGG   DRUG: Bucumolol hydrochloride
Entry
D01492                      Drug                                   
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
ADRB1 [HSA:153] [KO:K04141]
ADRB2 [HSA:154] [KO:K04142]
  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
CAS: 36556-75-9
PubChem: 7848555
ChEBI: 31315
LigandBox: D01492
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

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