KEGG   COMPOUND: C07063Help
Entry
C07063                      Compound                               

Name
Labetalol
Formula
C19H24N2O3
Exact mass
328.1787
Mol weight
328.4055
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
    C07AG Alpha and beta blocking agents
     C07AG01 Labetalol
      D08106  Labetalol (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Labetalol
    D08106  Labetalol (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    alpha1-adrenergic receptor
     Labetalol
      D08106  Labetalol (INN)
    beta1-adrenergic receptor
     Labetalol
      D08106  Labetalol (INN)
    beta2-adrenergic receptor
     Labetalol
      D08106  Labetalol (INN)
    beta3-adrenergic receptor
     Labetalol
      D08106  Labetalol (INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Labetalol
    D08106  Labetalol (INN)
BRITE hierarchy
Other DBs
CAS: 
36894-69-6
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    24.6466  -15.7558
            2   C8y C    24.6466  -17.1568
            3   C8x C    25.8600  -17.8573
            4   C8x C    27.0733  -17.1568
            5   C8y C    27.0733  -15.7558
            6   C8x C    25.8600  -15.0552
            7   C1c C    28.3118  -15.0552
            8   C1b C    29.5252  -15.7558
            9   N1b N    30.7385  -15.0552
            10  C1c C    31.9518  -15.7558
            11  C1b C    33.1652  -15.0552
            12  C1b C    34.3785  -15.7558
            13  C8y C    35.5918  -15.0552
            14  C5a C    23.4333  -15.0552
            15  N1a N    22.2369  -15.7462
            16  O5a O    23.4332  -13.6544
            17  O1a O    23.4333  -17.8573
            18  O1a O    28.2480  -13.6545
            19  C1a C    31.9518  -17.1567
            20  C8x C    36.7923  -15.7485
            21  C8x C    38.0057  -15.0480
            22  C8x C    38.0058  -13.6470
            23  C8x C    36.8054  -12.9537
            24  C8x C    35.5919  -13.6542
BOND        25
            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     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14    1  14 1
            15   14  15 1
            16   14  16 2
            17    2  17 1
            18    7  18 1
            19   10  19 1
            20   13  20 2
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24   23  24 2
            25   13  24 1

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