KEGG   DRUG: D00684Help
Entry
D00684                      Drug                                   

Name
Bitolterol mesilate (JAN);
Bitolterol mesylate (USAN);
Tornalate (TN)
Formula
C28H31NO5. CH4SO3
Exact mass
557.2083
Mol weight
557.6551
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator [DS:H00079]
Remark
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
     R03AC17 Bitolterol
      D00684  Bitolterol mesilate (JAN); Bitolterol mesylate (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Bitolterol
      D00684  Bitolterol mesilate (JAN); Bitolterol mesylate (USAN)
BRITE hierarchy
Other DBs
CAS: 
30392-41-7
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        39
            1   S4a S    31.5702  -18.6125
            2   C1a C    30.1764  -18.6067
            3   O1d O    32.9641  -18.6125
            4   O1d O    31.5644  -17.2186
            5   O1d O    31.5644  -20.0122
            6   C8y C    26.5399  -14.2854
            7   C1c C    27.7531  -14.9859
            8   C1b C    28.9665  -14.2854
            9   N1b N    30.1797  -14.9859
            10  C1d C    31.3930  -14.2854
            11  C8x C    26.5399  -12.8845
            12  C8x C    25.3266  -12.1840
            13  C8y C    24.1133  -12.8845
            14  C8y C    24.1133  -14.2854
            15  C8x C    25.3266  -14.9859
            16  O1a O    27.7531  -16.3869
            17  C1a C    32.6062  -13.5849
            18  O7a O    22.8813  -12.1730
            19  O7a O    22.8813  -14.9969
            20  C7a C    21.6753  -12.8691
            21  C8y C    20.4922  -12.1859
            22  C8x C    20.4923  -10.7832
            23  C8x C    19.2791  -10.0826
            24  C8y C    18.0658  -10.7830
            25  C8x C    18.0656  -12.1856
            26  C8x C    19.2788  -12.8862
            27  C1a C    16.8512  -10.0816
            28  O6a O    21.6749  -14.2850
            29  C7a C    22.8813  -16.3979
            30  C8y C    21.6848  -17.0887
            31  O6a O    24.1017  -17.1026
            32  C8x C    20.4874  -16.3971
            33  C8x C    19.2740  -17.0975
            34  C8y C    19.2738  -18.4985
            35  C8x C    20.4712  -19.1900
            36  C8x C    21.6846  -18.4897
            37  C1a C    18.0508  -19.2046
            38  C1a C    30.6397  -13.0795
            39  C1a C    32.1228  -15.4539
BOND        40
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     9  10 1
            9     6  11 2
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14    6  15 1
            15    7  16 1
            16   10  17 1
            17   13  18 1
            18   14  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 2
            26   21  26 1
            27   24  27 1
            28   20  28 2
            29   19  29 1
            30   29  30 1
            31   29  31 2
            32   30  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   35  36 2
            37   30  36 1
            38   34  37 1
            39   10  38 1
            40   10  39 1

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