KEGG   DRUG: Isoetharine hydrochlorideHelp
Entry
D02093                      Drug                                   

Name
Isoetharine hydrochloride (USP);
BETA-2 (TN)
Formula
C13H21NO3. HCl
Exact mass
275.1288
Mol weight
275.7717
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: 
Efficacy
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
      D02093  Isoetharine hydrochloride (USP)
BRITE hierarchy
Other DBs
CAS: 
2576-92-3
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C8y C    16.0300  -15.4700
            2   C1c C    17.2200  -14.7700
            3   C8x C    16.0300  -16.8700
            4   C8x C    14.8400  -14.7700
            5   C1c C    18.4800  -15.4700
            6   O1a O    17.2200  -13.3700
            7   C8x C    14.8400  -17.5700
            8   C8y C    13.6500  -15.4700
            9   N1b N    19.6700  -14.7700
            10  C1b C    18.4800  -16.8700
            11  C8y C    13.6500  -16.8700
            12  C1c C    20.9300  -15.4700
            13  O1a O    12.3900  -17.5700
            14  C1a C    22.1200  -14.7700
            15  C1a C    20.9300  -16.8700
            16  C1a C    19.6700  -17.5700
            17  O1a O    12.4347  -14.7749
            18  X   Cl   24.9200  -16.3100
BOND        17
            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

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