KEGG   DRUG: Esmolol hydrochlorideHelp
Entry
D00644                      Drug                                   

Name
Esmolol hydrochloride (JAN/USAN);
Brevibloc (TN)
Product
  Generic
Formula
C16H25NO4. HCl
Exact mass
331.155
Mol weight
331.8349
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
Remark
Therapeutic category: 
ATC code: 
Chemical group: 
Activity
Anti-adrenergic [beta-receptor]
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AB Beta blocking agents, selective
     C07AB09 Esmolol
      D00644  Esmolol hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   212  Antiarrhythmic agents
    2123  Beta blockers
     D00644  Esmolol hydrochloride (JAN/USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Esmolol
      D00644  Esmolol hydrochloride (JAN/USAN)
Cardiovascular agents [br08364.html]
 Antiarrhythmics
  D00644
BRITE hierarchy
Other DBs
CAS: 
81161-17-3
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   X   Cl   23.8412  -28.9649
            2   C1c C    23.1700  -22.8900
            3   C1a C    24.3824  -23.5900
            4   N1b N    21.9576  -23.5900
            5   C1a C    23.1700  -21.4900
            6   C1b C    20.7621  -22.8996
            7   C1c C    19.5747  -23.5851
            8   C1b C    18.3835  -22.8971
            9   O1a O    19.5745  -24.9898
            10  O2a O    17.1940  -23.5838
            11  C8y C    17.1940  -24.9838
            12  C8x C    15.9986  -25.6742
            13  C8x C    15.9989  -27.0742
            14  C8y C    17.2114  -27.7740
            15  C8x C    18.4068  -27.0836
            16  C8x C    18.4066  -25.6836
            17  C1b C    17.2116  -29.1900
            18  C1b C    16.0055  -29.8865
            19  C7a C    14.8130  -29.1980
            20  O7a O    13.6244  -29.8844
            21  O6a O    14.8128  -27.7903
            22  C1a C    12.4336  -29.1969
BOND        21
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     4   6 1
            5     6   7 1
            6     7   8 1
            7     7   9 1
            8     8  10 1
            9    10  11 1
            10   11  12 2
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   11  16 1
            16   14  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 1

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