KEGG   COMPOUND: C07407Help
Entry
C07407                      Compound                               

Name
Propranolol
Formula
C16H21NO2
Exact mass
259.1572
Mol weight
259.3434
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
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
     C07AA05 Propranolol
      D08443  Propranolol (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Propranolol
    D08443  Propranolol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
    beta2-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
    beta3-adrenergic receptor
     Propranolol
      D08443  Propranolol (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP1A2
   Propranolol
    D08443  Propranolol (INN)
 CYP substrates
  CYP1A2
   Propranolol
    D08443  Propranolol (INN)
  CYP2C19
   Propranolol
    D08443  Propranolol (INN)
  CYP2D6
   Propranolol
    D08443  Propranolol (INN)
  CYP3A4
   Propranolol
    D08443  Propranolol (INN)
   Propranolol
    D08443  Propranolol (INN)
  CYP3A5
   Propranolol
    D08443  Propranolol (INN)
  CYP3A7
   Propranolol
    D08443  Propranolol (INN)
BRITE hierarchy
Other DBs
CAS: 
525-66-6
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        19
            1   C8y C    22.2736  -19.4535
            2   C8y C    23.4918  -18.7541
            3   C8y C    22.2678  -20.8583
            4   C8x C    21.0671  -18.7483
            5   O2a O    23.4975  -17.3552
            6   C8x C    24.7041  -19.4652
            7   C8x C    23.4801  -21.5576
            8   C8x C    21.0671  -21.5518
            9   C8x C    19.8489  -19.4535
            10  C1b C    24.7157  -16.6616
            11  C8x C    24.6983  -20.8700
            12  C8x C    19.8489  -20.8583
            13  C1c C    25.9223  -17.3668
            14  C1b C    27.1288  -16.6733
            15  O1a O    25.9165  -18.7657
            16  N1b N    28.3412  -17.3728
            17  C1c C    29.5535  -16.6791
            18  C1a C    30.7658  -17.3785
            19  C1a C    29.5535  -15.2803
BOND        20
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 1
            11    8  12 2
            12   10  13 1
            13   13  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 1
            17   17  18 1
            18   17  19 1
            19    7  11 2
            20    9  12 1

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