KEGG   DRUG: Tetrahydrozoline nitrate
Entry
D00756                      Drug                                   
Name
Tetrahydrozoline nitrate (JAN);
Narbel (TN)
Formula
C13H16N2. HNO3
Exact mass
263.127
Mol weight
263.2924
Structure
Simcomp
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
Remark
ATC code: R01AA06 R01AB03 S01GA02
Chemical structure group: DG01030
Efficacy
Vasoconstrictor, alpha1-Adrenergic receptor agonist
Comment
Imidazoline derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AA Sympathomimetics, plain
     R01AA06 Tetryzoline
      D00756  Tetrahydrozoline nitrate (JAN)
    R01AB Sympathomimetics, combinations excl. corticosteroids
     R01AB03 Tetryzoline
      D00756  Tetrahydrozoline nitrate (JAN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA02 Tetryzoline
      D00756  Tetrahydrozoline nitrate (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for otolaryngologic use
  70 Nasal sprays for inflammation
   D00756  Tetrahydrozoline nitrate (JAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Tetryzoline
    D00756  Tetrahydrozoline nitrate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01448  alpha1-Adrenergic receptor agonist
     DG01030  Tetryzoline
      D00756  Tetrahydrozoline nitrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00756  Tetrahydrozoline nitrate (JAN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01456  Adrenergic receptor agonist
   DG01450  alpha-Adrenergic receptor agonist
    DG01448  alpha1-Adrenergic receptor agonist
     DG01030  Tetryzoline
Other DBs
PubChem: 7847821
ChEBI: 145570
LigandBox: D00756
LinkDB
KCF data

ATOM        19
            1   C8x C    12.8100  -18.6900
            2   C8x C    12.8100  -17.2900
            3   C8x C    14.0000  -16.5900
            4   C8y C    15.2600  -17.2900
            5   C8y C    15.2600  -18.6900
            6   C8x C    14.0000  -19.3900
            7   C1y C    16.4500  -16.5900
            8   C1x C    17.6400  -17.2900
            9   C1x C    17.6400  -18.6900
            10  C1x C    16.4500  -19.3900
            11  C2y C    16.4500  -15.1900
            12  N2x N    15.3300  -14.3500
            13  C1x C    15.7500  -13.0200
            14  C1x C    17.1500  -13.0200
            15  N1x N    17.5700  -14.3500
            16  O3a O    21.4200  -16.8000
            17  N2b N    21.4200  -18.2000 #+
            18  O1b O    20.1600  -18.9000
            19  O3a O    22.6100  -18.9000 #-
BOND        20
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    7  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   11  15 1
            18   16  17 2
            19   17  18 1
            20   17  19 1

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