KEGG   DRUG: Arotinolol hydrochlorideHelp
Entry
D01830                      Drug                                   

Name
Arotinolol hydrochloride (JP17);
Almarl (TN)
Formula
C15H21N3O2S3. HCl
Exact mass
407.0563
Mol weight
408.0021
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
  DG01465  alpha-Adrenergic receptor antagonist
   DG01457  alpha1-Adrenergic receptor antagonist
Remark
Therapeutic category: 
Chemical group: 
Activity
Antiarrhythmic, Antihypertensive, Vasodilator, Adrenergic receptor antagonist
Target
alpha1-adrenergic receptor [HSA:146 147 148] [KO:K04137 K04136 K04135];
alpha2-adrenergic receptor [HSA:150 151 152] [KO:K04138 K04139 K04140];
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2123  Beta blockers
     D01830  Arotinolol hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Arotinolol
      D01830  Arotinolol hydrochloride (JP17)
    beta1-adrenergic receptor
     Arotinolol
      D01830  Arotinolol hydrochloride (JP17)
    beta2-adrenergic receptor
     Arotinolol
      D01830  Arotinolol hydrochloride (JP17)
    beta3-adrenergic receptor
     Arotinolol
      D01830  Arotinolol hydrochloride (JP17)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01830  Arotinolol hydrochloride
Cardiovascular agents [br08364.html]
 Antihypertensives
  D01830
BRITE hierarchy
Other DBs
CAS: 
68377-91-3
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   X   Cl   25.4183  -19.9577
            2   C1d C    26.1100  -13.5100
            3   C1a C    27.3000  -14.2100
            4   N1b N    24.9200  -14.2100
            5   C1a C    26.1100  -12.1100
            6   C1a C    27.3000  -12.8100
            7   C1b C    23.7300  -13.5100
            8   C1c C    22.5400  -14.2100
            9   C1b C    21.3500  -13.5100
            10  S2a S    20.1600  -14.2100
            11  O1a O    22.5400  -15.6100
            12  C8y C    20.1600  -15.6100
            13  N5x N    19.0400  -16.4500
            14  C8y C    19.4600  -17.7100
            15  C8x C    20.8600  -17.7100
            16  S2x S    21.2800  -16.4500
            17  C8y C    18.6200  -18.8300
            18  S2x S    17.2200  -18.8300
            19  C8y C    16.8000  -20.1600
            20  C8x C    17.9200  -21.0000
            21  C8x C    19.0400  -20.1600
            22  C5a C    15.4000  -20.1600
            23  O5a O    14.7000  -18.9700
            24  N1a N    14.7000  -21.3500
BOND        24
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1
            5     4   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     8  11 1
            10   10  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  16 1
            15   12  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   17  21 2
            22   19  22 1
            23   22  23 2
            24   22  24 1

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