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: C02765
ATC code: R01BA02
Chemical structure group: DG01042
Product (DG01042): D00485<US>
Efficacy
Vasoconstrictor, Adrenergic receptor agonist
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
ADRB [HSA:153 154 155] [KO:K04141 K04142 K04143]
  Pathway
hsa04020  Calcium signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04261  Adrenergic signaling in cardiomyocytes
hsa04270  Vascular smooth muscle contraction
hsa04970  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
    ADRA1
     D08449  Pseudoephedrine (INN)
    ADRA2
     D08449  Pseudoephedrine (INN)
    ADRB
     D08449  Pseudoephedrine (INN)
BRITE hierarchy
Other DBs
CAS: 90-82-4
PubChem: 96025135
ChEBI: 51209
ChEMBL: CHEMBL1590 CHEMBL357080
DrugBank: DB00852
LigandBox: D08449
NIKKAJI: J10.171K
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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