KEGG   DRUG: PseudoephedrineHelp
Entry
D08449                      Drug                                   

Name
Pseudoephedrine (INN);
Neodurasina (TN);
Acunaso (TN)
Formula
C10H15NO
Exact mass
165.1154
Mol weight
165.2322
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01450  alpha-Adrenergic receptor agonist
   DG01448  alpha1-Adrenergic receptor agonist
   DG01449  alpha2-Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
Remark
Same as: 
ATC code: 
Chemical group: 
Activity
Vasoconstrictor, Adrenergic receptor agonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137];
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140];
ADRB1 [HSA:153] [KO:K04141];
ADRB2 [HSA:154] [KO:K04142];
ADRB3 [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Vascular smooth muscle contraction
Salivary secretion
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01B NASAL DECONGESTANTS FOR SYSTEMIC USE
    R01BA Sympathomimetics
     R01BA02 Pseudoephedrine
      D08449  Pseudoephedrine (INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Pseudoephedrine
    D08449  Pseudoephedrine (INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Pseudoephedrine
    D08449  Pseudoephedrine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Pseudoephedrine
      D08449  Pseudoephedrine (INN)
    alpha2-adrenergic receptor
     Pseudoephedrine
      D08449  Pseudoephedrine (INN)
    beta1-adrenergic receptor
     Pseudoephedrine
      D08449  Pseudoephedrine (INN)
    beta2-adrenergic receptor
     Pseudoephedrine
      D08449  Pseudoephedrine (INN)
    beta3-adrenergic receptor
     Pseudoephedrine
      D08449  Pseudoephedrine (INN)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived by amination reactions
   Phenylalanine derived alkaloids
    D08449  Pseudoephedrine (INN)
BRITE hierarchy
Other DBs
CAS: 
90-82-4
PubChem: 
ChEBI: 
ChEMBL: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8x C    24.0100  -21.1400
            2   C8x C    24.0100  -22.5400
            3   C8x C    25.2000  -23.2400
            4   C8x C    26.3900  -22.5400
            5   C8y C    26.3900  -21.1400
            6   C8x C    25.2000  -20.4400
            7   C1c C    27.6500  -20.4400
            8   C1c C    28.8400  -21.1400
            9   O1a O    27.6500  -19.0400
            10  N1b N    30.0300  -20.4400
            11  C1a C    28.8400  -22.5400
            12  C1a C    31.2200  -21.1400
BOND        12
            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     5   7 1
            8     7   8 1
            9     7   9 1 #Down
            10    8  10 1
            11    8  11 1 #Up
            12   10  12 1

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