KEGG   DRUG: D00644Help
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
Activity
Anti-adrenergic [beta-receptor]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
beta1-adrenergic receptor antagonist [HSA:153] [KO:K04141]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  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)
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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