KEGG   DRUG: D04626Help
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
Activity
Bronchodilator
Remark
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
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: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C     6.7316   -7.0154
            2   C1c C     7.9443   -7.7184
            3   C8x C     6.7316   -5.6153
            4   C8x C     5.5247   -7.7184
            5   C1c C     9.1630   -7.0154
            6   O1a O     7.8802   -9.1128
            7   C8y C     5.5247   -4.9122
            8   C8x C     4.3061   -7.0154
            9   N1b N    10.3757   -7.7127
            10  C1b C     9.1630   -5.6093
            11  C8y C     4.3061   -5.6153
            12  O1a O     5.5304   -3.5060
            13  C1c C    11.5944   -7.0096
            14  O1a O     3.0992   -4.9122
            15  C1a C    12.8071   -7.7127
            16  C1a C    11.5885   -5.6093
            17  C1a C    10.3503   -4.9238
            18  O1d O    18.5591   -5.2163
            19  S4a S    18.5591   -6.6133
            20  C1a C    17.1622   -6.6133
            21  O1d O    19.9561   -6.6133
            22  O1d O    18.5591   -8.0102
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    7  12 1
            12    9  13 1
            13   11  14 1
            14   13  15 1
            15   13  16 1
            16    8  11 2
            17   10  17 1
            18   18  19 2
            19   19  20 1
            20   19  21 1
            21   19  22 2

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