KEGG   DRUG: Acebutolol hydrochlorideHelp
Entry
D00597                      Drug                                   

Name
Acebutolol hydrochloride (JP17/USP);
Sectral (TN)
Product
  Generic
Formula
C18H28N2O4. HCl
Exact mass
372.1816
Mol weight
372.8869
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Same as: 
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Antiarrhythmic, Antihypertensive, Vasodilator, beta1-Adrenergic receptor antagonist
Comment
Propranolol derivative
Target
ADRB1 [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB04 Acebutolol
      D00597  Acebutolol hydrochloride (JP17/USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Acebutolol
    D00597  Acebutolol hydrochloride (JP17/USP)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2123  Beta blockers
     D00597  Acebutolol hydrochloride (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Acebutolol
      D00597  Acebutolol hydrochloride (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00597  Acebutolol hydrochloride
Cardiovascular agents [br08364.html]
 Antihypertensives
  D00597
 Antiarrhythmics
  D00597
BRITE hierarchy
Other DBs
CAS: 
34381-68-5
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    21.9841  -14.0731
            2   C8y C    20.7938  -14.7732
            3   C8x C    23.2443  -14.7732
            4   O2a O    21.9841  -12.6728
            5   C8x C    20.7938  -16.1735
            6   C5a C    19.5336  -14.0731
            7   C8x C    23.2443  -16.1035
            8   C1b C    23.1743  -11.9727
            9   C8y C    22.0541  -16.8737
            10  C1a C    18.3433  -14.7732
            11  O5a O    19.5336  -12.6728
            12  C1c C    24.3646  -12.6028
            13  N1b N    22.0541  -18.2740
            14  C1b C    25.6248  -11.9026
            15  O1a O    24.3646  -14.0031
            16  C5a C    20.8638  -18.9741
            17  N1b N    26.8151  -12.6028
            18  C1b C    19.6036  -18.2740
            19  O5a O    20.8638  -20.3744
            20  C1c C    28.0053  -11.9026
            21  C1b C    18.4133  -19.0441
            22  C1a C    29.2656  -12.5328
            23  C1a C    28.0053  -10.5024
            24  C1a C    17.2231  -18.3440
            25  X   Cl   31.9262  -16.3136
BOND        24
            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   18  21 1
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24    7   9 2

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