KEGG   DRUG: Isoproterenol sulfateHelp
Entry
D02066                      Drug                                   

Name
Isoproterenol sulfate (USP);
Isoprenaline sulfate (JAN);
Luf-Iso (TN);
Medihaler-Iso (TN)
Formula
(C11H17NO3)2. H2SO4. 2H2O
Exact mass
556.2302
Mol weight
556.6242
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01703  Cardiotonic
  DG01699  Catecholamine cardiotonic
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01451  beta1-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
   DG01453  beta3-Adrenergic receptor agonist
 DG01592  COMT substrate
Remark
ATC code: 
Chemical group: 
Activity
Bronchodilator
Comment
Component of Stmerin-D (TN)
Target
beta1-adrenergic receptor [HSA:153] [KO:K04141];
beta2-adrenergic receptor [HSA:154] [KO:K04142];
beta3-adrenergic receptor [HSA:155] [KO:K04143]
  Pathway
Calcium signaling pathway
Neuroactive ligand-receptor interaction
Adrenergic signaling in cardiomyocytes
Salivary secretion
Interaction
Drug interaction
Structure map
beta-Adrenergic receptor agonists/antagonists
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01C CARDIAC STIMULANTS EXCL. CARDIAC GLYCOSIDES
    C01CA Adrenergic and dopaminergic agents
     C01CA02 Isoprenaline
      D02066  Isoproterenol sulfate (USP)
 R RESPIRATORY SYSTEM
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03A ADRENERGICS, INHALANTS
    R03AB Non-selective beta-adrenoreceptor agonists
     R03AB02 Isoprenaline
      D02066  Isoproterenol sulfate (USP)
   R03C ADRENERGICS FOR SYSTEMIC USE
    R03CB Non-selective beta-adrenoreceptor agonists
     R03CB01 Isoprenaline
      D02066  Isoproterenol sulfate (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Isoprenaline
      D02066  Isoproterenol sulfate (USP)
    beta2-adrenergic receptor
     Isoprenaline
      D02066  Isoproterenol sulfate (USP)
    beta3-adrenergic receptor
     Isoprenaline
      D02066  Isoproterenol sulfate (USP)
BRITE hierarchy
Other DBs
CAS: 
6700-39-6
PubChem: 
DrugBank: 
LigandBox: 
KCF data Show

ATOM        37
            1   S4a S    30.7719  -15.7400
            2   O1d O    30.8348  -14.3399
            3   O1d O    30.8348  -17.1400
            4   O1d O    32.1719  -15.7400
            5   O1d O    29.3719  -15.7400
            6   O0  O    36.8252  -15.6939
            7   C8y C    18.4800  -16.2400
            8   C8x C    17.2900  -15.4700
            9   C8x C    18.4800  -17.6400
            10  C8y C    16.1000  -16.1700
            11  C8x C    17.2200  -18.2700
            12  C8y C    16.1000  -17.5000
            13  O1a O    14.9100  -15.4000
            14  O1a O    14.9100  -18.2000
            15  C1c C    19.7400  -15.5400
            16  C1b C    20.9300  -16.2400
            17  N1b N    22.1200  -15.5400
            18  C1c C    23.3800  -16.2400
            19  C1a C    24.5700  -15.5400
            20  O1a O    19.7400  -14.1400
            21  C1a C    23.3800  -17.6400
            22  O0  O    36.8252  -15.6939
            23  C8y C    18.4800  -16.2400
            24  C8x C    17.2900  -15.4700
            25  C8y C    16.1000  -16.1700
            26  C8y C    16.1000  -17.5000
            27  O1a O    14.9100  -18.2000
            28  C8x C    17.2200  -18.2700
            29  C8x C    18.4800  -17.6400
            30  O1a O    14.9100  -15.4000
            31  C1c C    19.7400  -15.5400
            32  C1b C    20.9300  -16.2400
            33  N1b N    22.1200  -15.5400
            34  C1c C    23.3800  -16.2400
            35  C1a C    24.5700  -15.5400
            36  C1a C    23.3800  -17.6400
            37  O1a O    19.7400  -14.1400
BOND        34
            1     1   3 2
            2     1   4 1
            3     1   5 1
            4     1   2 2
            5     7   8 1
            6     7   9 2
            7     8  10 2
            8     9  11 1
            9    10  12 1
            10   10  13 1
            11   12  14 1
            12   11  12 2
            13    7  15 1
            14   15  16 1
            15   16  17 1
            16   17  18 1
            17   18  19 1
            18   15  20 1
            19   18  21 1
            20   23  24 1
            21   23  29 2
            22   24  25 2
            23   29  28 1
            24   25  26 1
            25   25  30 1
            26   26  27 1
            27   28  26 2
            28   23  31 1
            29   31  32 1
            30   32  33 1
            31   33  34 1
            32   34  35 1
            33   31  37 1
            34   34  36 1
BRACKET     1    35.0000  -16.3800   35.0000  -14.8400
            1    37.2400  -14.8400   37.2400  -16.3800
            1  2
 ORIGINAL  1    6
 REPEAT    1   22
            2    13.6500  -19.4600   13.6500  -12.1800
            2    26.3200  -12.1800   26.3200  -19.4600
            2  2
 ORIGINAL  2    7   8  10  12  14  11   9  13  15  16  17  18  19  21  20
 REPEAT    2   23  24  25  26  27  28  29  30  31  32  33  34  35  36  37

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