KEGG   DRUG: D04625Help
Entry
D04625                      Drug                                   

Name
Isoetharine (USP);
Isoetarine (INN)
Formula
C13H21NO3
Exact mass
239.1521
Mol weight
239.3107
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator
Remark
Same as: 
ATC code: 
Drug group: 
Target
beta2-adrenergic receptor agonist [HSA:154] [KO:K04142]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04144  Endocytosis
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04970  Salivary secretion  
 
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AC Selective beta-2-adrenoreceptor agonists
     R03AC07 Isoetarine
      D04625  Isoetharine (USP); Isoetarine (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC06 Isoetarine
      D04625  Isoetharine (USP); Isoetarine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Isoetharine
      D04625  Isoetharine (USP); Isoetarine (INN)
BRITE hierarchy
Other DBs
CAS: 
530-08-5
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        17
            1   C8y C    13.3000  -20.0900
            2   C8y C    13.3000  -21.4900
            3   C8x C    14.5124  -22.1900
            4   C8x C    15.7249  -21.4900
            5   C8y C    15.7249  -20.0900
            6   C8x C    14.5124  -19.3900
            7   C1c C    16.9560  -19.3790
            8   C1c C    18.1612  -20.0747
            9   O1a O    16.9557  -17.9901
            10  N1b N    19.3435  -19.3919
            11  O1a O    12.0876  -22.1900
            12  O1a O    12.0876  -19.3900
            13  C1c C    20.5375  -20.0812
            14  C1a C    21.7254  -19.3952
            15  C1a C    20.5377  -21.4897
            16  C1b C    18.1616  -21.4896
            17  C1a C    19.3505  -22.1759
BOND        17
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11    2  11 1
            12    1  12 1
            13   10  13 1
            14   13  14 1
            15   13  15 1
            16    8  16 1
            17   16  17 1

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