KEGG   DRUG: D07916Help
Entry
D07916                      Drug                                   

Name
Esmolol (INN)
Formula
C16H25NO4
Exact mass
295.1784
Mol weight
295.374
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
beta1-Adrenergic blocking
Remark
Same as: 
ATC code: 
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
      D07916  Esmolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor [HSA:153] [KO:K04141]
     Esmolol [ATC:C07AB09]
      D07916  Esmolol (INN)
BRITE hierarchy
Other DBs
CAS: 
103598-03-4
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        21
            1   C8y C    24.1500  -18.5500
            2   C8x C    22.9600  -19.3200
            3   C8x C    24.1500  -17.2200
            4   O2a O    25.4100  -19.2500
            5   C8x C    21.7000  -18.6200
            6   C8x C    22.9600  -16.5200
            7   C1b C    26.6000  -18.5500
            8   C8y C    21.7000  -17.2200
            9   C1c C    27.7900  -19.2500
            10  C1b C    20.5100  -16.5200
            11  C1b C    29.0500  -18.5500
            12  O1a O    27.8600  -20.6500
            13  C1b C    19.3200  -17.2900
            14  N1b N    30.2400  -19.1800
            15  C7a C    18.0600  -16.5900
            16  C1c C    31.4300  -18.4800
            17  O7a O    16.8700  -17.2900
            18  O6a O    18.0600  -15.1900
            19  C1a C    32.6900  -19.1800
            20  C1a C    31.4300  -17.0800
            21  C1a C    15.6800  -16.6600
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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