KEGG   DRUG: D05037Help
Entry
D05037                      Drug                                   

Name
Trimetoquinol hydrochloride hydrate (JP16);
Tretoquinol hydrate;
Caluyon (TN)
Formula
C19H23NO5. HCl. H2O
Exact mass
399.1449
Mol weight
399.8658
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Bronchodilator;
beta2-Sympathomimetic [DS:H00079]
Remark
Therapeutic category: 
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
     R03AC09 Tretoquinol
      D05037  Trimetoquinol hydrochloride hydrate (JP16)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CC Selective beta-2-adrenoreceptor agonists
     R03CC09 Tretoquinol
      D05037  Trimetoquinol hydrochloride hydrate (JP16)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  22  Respiratory organ agents
   225  Bronchodilators
    2259  Others
     D05037  Trimetoquinol hydrochloride hydrate (JP16)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for respiratory organs
  26 Antitussives and expectorants
   D05037  Trimetoquinol hydrochloride hydrate (JP16)
Risk category of Japanese OTC drugs [BR:br08312]
 Category 2
  Inorganic and organic chemicals
   Trimetoquinol
    D05037  Trimetoquinol hydrochloride hydrate (JP16)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta2-adrenergic receptor
     Tretoquinol
      D05037  Trimetoquinol hydrochloride hydrate (JP16)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D05037  Trimetoquinol hydrochloride hydrate
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    D05037  Trimetoquinol hydrochloride (JP15)
BRITE hierarchy
Other DBs
PubChem: 
LigandBox: 
KCF data Show

ATOM        27
            1   C8y C    35.5823  -28.1542
            2   C8y C    35.5823  -29.5500
            3   C8x C    36.7688  -30.2479
            4   C8y C    37.9552  -29.5500
            5   C8y C    37.9552  -28.1542
            6   C8x C    36.7688  -27.4563
            7   C1x C    39.1416  -30.2479
            8   C1x C    40.3979  -29.5500
            9   N1x N    40.3979  -28.1542
            10  C1y C    39.1416  -27.4563
            11  O1a O    34.3261  -27.4563
            12  O1a O    34.3261  -30.2479
            13  C1b C    39.1416  -26.0605
            14  C8y C    40.3979  -25.3626
            15  C8x C    41.5843  -26.0605
            16  C8y C    42.7707  -25.3626
            17  C8y C    42.7707  -23.9668
            18  C8y C    41.5843  -23.2689
            19  C8x C    40.3979  -23.9668
            20  O2a O    44.0269  -26.0605
            21  O2a O    41.5843  -21.8731
            22  O2a O    44.0269  -23.2689
            23  C1a C    42.8405  -21.1751
            24  C1a C    45.2134  -23.9668
            25  C1a C    44.0269  -27.4563
            26  X   Cl   48.4935  -26.8281
            27  O0  O    48.9820  -28.7125
BOND        27
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    1  11 1
            13    2  12 1
            14   10  13 1 #Down
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   14  19 1
            22   16  20 1
            23   18  21 1
            24   17  22 1
            25   21  23 1
            26   22  24 1
            27   20  25 1

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