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   C8y C    29.0099  -16.0989
            2   C8x C    27.8042  -16.8211
            3   C8x C    28.9866  -14.7011
            4   O2a O    30.2329  -16.7862
            5   C8x C    26.5112  -16.1398
            6   C8x C    27.7635  -14.0254
            7   C1b C    31.4385  -16.0639
            8   C8y C    26.5579  -14.7360
            9   C1c C    32.6617  -16.7512
            10  C1b C    25.3347  -14.0604
            11  C1b C    33.8557  -16.0290
            12  O1a O    32.6791  -18.1490
            13  C1b C    24.1407  -14.7769
            14  N1b N    35.0787  -16.7105
            15  C7a C    22.9120  -14.1013
            16  C1c C    36.2844  -15.9883
            17  O7a O    21.7121  -14.8176
            18  O6a O    22.8944  -12.7034
            19  C1a C    37.5074  -16.6755
            20  C1a C    36.2611  -14.5904
            21  C1a C    20.4891  -14.1420
            22  X   Cl   22.6991  -18.2233
BOND        21
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 1
            12   10  13 1
            13   11  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 1
            20   17  21 1
            21    6   8 2

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