KEGG   DRUG: Pseudoephedrine sulfateHelp
Entry
D05649                      Drug                                   

Name
Pseudoephedrine sulfate (USP);
Afrinol (TN)
Formula
(C10H15NO)2. H2SO4
Exact mass
428.1981
Mol weight
428.5429
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
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
      D05649  Pseudoephedrine sulfate (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Pseudoephedrine
    D05649  Pseudoephedrine sulfate (USP)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Pseudoephedrine
    D05649  Pseudoephedrine sulfate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Pseudoephedrine
      D05649  Pseudoephedrine sulfate (USP)
    alpha2-adrenergic receptor
     Pseudoephedrine
      D05649  Pseudoephedrine sulfate (USP)
    beta1-adrenergic receptor
     Pseudoephedrine
      D05649  Pseudoephedrine sulfate (USP)
    beta2-adrenergic receptor
     Pseudoephedrine
      D05649  Pseudoephedrine sulfate (USP)
    beta3-adrenergic receptor
     Pseudoephedrine
      D05649  Pseudoephedrine sulfate (USP)
Phytochemicals used as drugs [BR:br08306]
 Alkaloids
  Alkaloids derived by amination reactions
   Phenylalanine derived alkaloids
    D05649  Pseudoephedrine sulfate (USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D05649
BRITE hierarchy
Other DBs
CAS: 
7460-12-0
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   S4a S    36.2600  -21.0700
            2   O1d O    36.2600  -19.6700
            3   O1d O    36.2600  -22.4700
            4   O1d O    34.8600  -21.0700
            5   O1d O    37.6600  -21.0700
            6   C8y C    25.6900  -21.0700
            7   C8x C    25.6900  -22.4700
            8   C8x C    24.5000  -23.1700
            9   C8x C    23.2400  -22.4700
            10  C8x C    23.2400  -21.0700
            11  C8x C    24.5000  -20.3700
            12  C1c C    26.8800  -20.3700
            13  C1c C    28.0700  -21.0700
            14  N1b N    29.2600  -20.3700
            15  C1a C    28.0700  -22.4700
            16  O1a O    26.8800  -18.9700
            17  C1a C    30.4781  -21.0601
            18  C8y C    25.6900  -21.0700
            19  C8x C    25.6900  -22.4700
            20  C8x C    24.5000  -23.1700
            21  C8x C    23.2400  -22.4700
            22  C8x C    23.2400  -21.0700
            23  C8x C    24.5000  -20.3700
            24  C1c C    26.8800  -20.3700
            25  C1c C    28.0700  -21.0700
            26  N1b N    29.2600  -20.3700
            27  C1a C    30.4781  -21.0601
            28  C1a C    28.0700  -22.4700
            29  O1a O    26.8800  -18.9700
BOND        28
            1     1   2 2
            2     1   3 2
            3     1   4 1
            4     1   5 1
            5     6   7 2
            6     7   8 1
            7     8   9 2
            8     9  10 1
            9    10  11 2
            10    6  11 1
            11    6  12 1
            12   12  13 1
            13   13  14 1
            14   13  15 1 #Up
            15   12  16 1 #Down
            16   14  17 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   18  24 1
            24   24  25 1
            25   25  26 1
            26   25  28 1 #Up
            27   24  29 1 #Down
            28   26  27 1
BRACKET     1    22.4000  -24.2200   22.4000  -17.5700
            1    32.3400  -17.5700   32.3400  -24.2200
            1  2
 ORIGINAL  1    6   7   8   9  10  11  12  13  14  17  15  16
 REPEAT    1   18  19  20  21  22  23  24  25  26  27  28  29

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