KEGG   DRUG: D08039Help
Entry
D08039                      Drug                                   

Name
Hexoprenaline (INN);
Ipradol (TN)
Formula
C22H32N2O6
Exact mass
420.226
Mol weight
420.4993
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator;
beta2-Sympathomimetic [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
     R03AC06 Hexoprenaline
      D08039  Hexoprenaline (INN)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC05 Hexoprenaline
      D08039  Hexoprenaline (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Hexoprenaline
      D08039  Hexoprenaline (INN)
BRITE hierarchy
Other DBs
CAS: 
3215-70-1
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C8y C    14.9100  -18.2000
            2   C1c C    16.1700  -18.9000
            3   C8x C    14.9100  -16.8000
            4   C8x C    13.7200  -18.9000
            5   C1b C    17.3600  -18.2000
            6   O1a O    16.1700  -20.3000
            7   C8y C    13.7200  -16.1000
            8   C8x C    12.5300  -18.2000
            9   N1b N    18.5500  -18.9000
            10  C8y C    12.5300  -16.8000
            11  O1a O    13.7200  -14.6300
            12  C1b C    19.8100  -18.2000
            13  O1a O    11.3400  -16.1000
            14  C1b C    21.0000  -18.9000
            15  C1b C    22.1900  -18.2000
            16  C1b C    23.4500  -18.9000
            17  C1b C    24.6400  -18.2000
            18  C1b C    25.8300  -18.9000
            19  N1b N    27.0900  -18.2000
            20  C1b C    28.2800  -18.9000
            21  C1c C    29.4700  -18.2000
            22  C8y C    30.7300  -18.9000
            23  O1a O    29.4700  -16.8000
            24  C8x C    30.7300  -20.3000
            25  C8y C    31.9200  -21.0000
            26  C8y C    33.1100  -20.3000
            27  C8x C    33.1100  -18.9000
            28  C8x C    31.9200  -18.2000
            29  O1a O    31.9200  -22.4000
            30  O1a O    34.3700  -21.0000
BOND        31
            1    16  17 1
            2     1   3 1
            3    17  18 1
            4     1   4 2
            5    18  19 1
            6     2   5 1
            7    19  20 1
            8     2   6 1
            9    20  21 1
            10    3   7 2
            11   21  22 1
            12    4   8 1
            13   21  23 1
            14    5   9 1
            15    7  10 1
            16    7  11 1
            17    9  12 1
            18   10  13 1
            19   22  24 2
            20   24  25 1
            21   25  26 2
            22   26  27 1
            23   27  28 2
            24   28  22 1
            25   12  14 1
            26   25  29 1
            27    8  10 2
            28   26  30 1
            29   14  15 1
            30   15  16 1
            31    1   2 1

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