KEGG   DRUG: Penbutolol sulfateHelp
Entry
D00602                      Drug                                   

Name
Penbutolol sulfate (JP17/USP);
Levatol (TN)
Formula
(C18H29NO2)2. H2SO4
Exact mass
680.407
Mol weight
680.9352
Structure
Mol fileKCF fileDB searchJmolKegDraw
Class
Cardiovascular agent
 DG01653  Antiarrhythmics
  DG01806  Class II antiarrhythmic agent
 DG01466  Adrenergic receptor antagonist
  DG01464  beta-Adrenergic receptor antagonist
   DG01461  beta1-Adrenergic receptor antagonist
   DG01462  beta2-Adrenergic receptor antagonist
   DG01463  beta3-Adrenergic receptor antagonist
Remark
ATC code: 
Chemical group: 
Activity
Antihypertensive, beta-adrenergic receptor antagonist
Comment
Propranolol derivative
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
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C07 BETA BLOCKING AGENTS
   C07A BETA BLOCKING AGENTS
    C07AA Beta blocking agents, non-selective
     C07AA23 Penbutolol
      D00602  Penbutolol sulfate (JP17/USP)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Penbutolol
    D00602  Penbutolol sulfate (JP17/USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP17/USP)
    beta2-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP17/USP)
    beta3-adrenergic receptor
     Penbutolol
      D00602  Penbutolol sulfate (JP17/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00602  Penbutolol sulfate
Cardiovascular agents [br08364.html]
 Antihypertensives
  D00602
BRITE hierarchy
Other DBs
CAS: 
38363-32-5
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        47
            1   S4a S    27.2992  -16.0413
            2   O1d O    25.9020  -16.0356
            3   O1d O    28.7023  -16.0413
            4   O1d O    27.2932  -14.6441
            5   O1d O    27.2932  -17.4387
            6   C1b C    17.5700  -14.9100
            7   N1b N    18.7824  -15.6100
            8   C1d C    19.9779  -14.9196
            9   C1a C    21.1653  -15.6051
            10  C1a C    19.9780  -13.5103
            11  C1a C    21.1904  -14.2196
            12  C1c C    16.3576  -15.6100
            13  C1b C    15.1621  -14.9196
            14  O1a O    16.3575  -17.0098
            15  O2a O    13.9747  -15.6051
            16  C8y C    13.9747  -17.0051
            17  C8y C    12.7793  -17.6955
            18  C8x C    12.7796  -19.0955
            19  C8x C    13.9921  -19.7953
            20  C8x C    15.1875  -19.1049
            21  C8x C    15.1873  -17.7049
            22  C1y C    11.5961  -17.0126
            23  C1x C    11.6347  -15.6101
            24  C1x C    10.3158  -15.1409
            25  C1x C     9.4620  -16.2502
            26  C1x C    10.2532  -17.4050
            27  C1b C    17.5700  -14.9100
            28  N1b N    18.7824  -15.6100
            29  C1d C    19.9779  -14.9196
            30  C1a C    21.1653  -15.6051
            31  C1a C    19.9780  -13.5103
            32  C1a C    21.1904  -14.2196
            33  C1c C    16.3576  -15.6100
            34  C1b C    15.1621  -14.9196
            35  O2a O    13.9747  -15.6051
            36  C8y C    13.9747  -17.0051
            37  C8y C    12.7793  -17.6955
            38  C8x C    12.7796  -19.0955
            39  C8x C    13.9921  -19.7953
            40  C8x C    15.1875  -19.1049
            41  C8x C    15.1873  -17.7049
            42  C1y C    11.5961  -17.0126
            43  C1x C    11.6347  -15.6101
            44  C1x C    10.3158  -15.1409
            45  C1x C     9.4620  -16.2502
            46  C1x C    10.2532  -17.4050
            47  O1a O    16.3575  -17.0098
BOND        48
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     1   5 2
            5     6   7 1
            6     7   8 1
            7     8   9 1
            8     8  10 1
            9     8  11 1
            10    6  12 1
            11   12  13 1
            12   12  14 1 #Down
            13   13  15 1
            14   15  16 1
            15   16  17 2
            16   17  18 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   16  21 1
            21   17  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   22  26 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   29  31 1
            31   29  32 1
            32   27  33 1
            33   33  34 1
            34   33  47 1 #Down
            35   34  35 1
            36   35  36 1
            37   36  37 2
            38   37  38 1
            39   38  39 2
            40   39  40 1
            41   40  41 2
            42   36  41 1
            43   37  42 1
            44   42  43 1
            45   43  44 1
            46   44  45 1
            47   45  46 1
            48   42  46 1
BRACKET     1     8.9600  -20.3000    8.9600  -12.1100
            1    23.3100  -12.1100   23.3100  -20.3000
            1  2
 ORIGINAL  1    6   7   8   9  10  11  12  13  15  16  17  18  19  20  21  22
            1   23  24  25  26  14
 REPEAT    1   27  28  29  30  31  32  33  34  35  36  37  38  39  40  41  42
            1   43  44  45  46  47

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