KEGG   DRUG: Isoetharine mesylateHelp
Entry
D04626                      Drug                                   

Name
Isoetharine mesylate (USP);
Bronkometer (TN)
Formula
C13H21NO3. CH4SO3
Exact mass
335.1403
Mol weight
335.4164
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
 DG01951  Catecholamine adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Chemical group: 
Activity
Bronchodilator, beta2-Adrenergic receptor agonist
Target
ADRB2 [HSA:154] [KO:K04142]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Endocytosis
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Isoetharine
      D04626  Isoetharine mesylate (USP)
BRITE hierarchy
Other DBs
CAS: 
7279-75-6
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    13.8600  -15.4700
            2   C1c C    15.1200  -14.7700
            3   C8x C    13.8600  -16.8700
            4   C8x C    12.6700  -14.7700
            5   C1c C    16.3100  -15.4700
            6   O1a O    15.1200  -13.3700
            7   C8x C    12.6700  -17.5700
            8   C8y C    11.4800  -15.4700
            9   N1b N    17.5000  -14.7700
            10  C1b C    16.3100  -16.8700
            11  C8y C    11.4800  -16.8700
            12  C1c C    18.7600  -15.4700
            13  O1a O    10.2200  -17.5700
            14  C1a C    19.9500  -14.7700
            15  C1a C    18.7600  -16.8700
            16  C1a C    17.5000  -17.5700
            17  O1a O    10.2647  -14.7749
            18  O1d O    25.6900  -15.1200
            19  S4a S    25.6900  -16.5200
            20  C1a C    24.2900  -16.5200
            21  O1d O    27.0900  -16.5200
            22  O1d O    25.6900  -17.8500
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 1
            10    7  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15    8  11 2
            16   10  16 1
            17    8  17 1
            18   18  19 2
            19   19  20 1
            20   19  21 1
            21   19  22 2

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