KEGG   COMPOUND: C06875
Entry
C06875                      Compound                               
Name
Carvedilol
Formula
C24H26N2O4
Exact mass
406.1893
Mol weight
406.4742
Structure
Remark
Same as: D00255
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
     C07AG02 Carvedilol
      D00255  Carvedilol (JP18/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Beta-adrenergic Blocking Agents, Other
    Carvedilol
     D00255  Carvedilol (JP18/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D00255  Carvedilol (JP18/USP/INN)
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01466  Adrenergic receptor antagonist
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG00321  Carvedilol
     D00255  Carvedilol
  DG03231  Antihypertensive
   DG03180  alpha1 and beta-Adrenergic receptor antagonist
    DG00321  Carvedilol
     D00255  Carvedilol
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00321  Carvedilol
    D00255  Carvedilol
  DG01642  CYP2C9 substrate
   DG00321  Carvedilol
    D00255  Carvedilol
  DG01644  CYP2D6 substrate
   DG00321  Carvedilol
    D00255  Carvedilol
  DG02855  CYP2E1 substrate
   DG00321  Carvedilol
    D00255  Carvedilol
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00321  Carvedilol
     D00255  Carvedilol
 Transporter inhibitor
  DG01622  ABCB1 inhibitor
   DG00321  Carvedilol
    D00255  Carvedilol
Drug classes [BR:br08332]
 Cardiovascular agent
  DG03231  Antihypertensive
   D00255  Carvedilol
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00255  Carvedilol (JP18/USP/INN) <JP/US>
    ADRB1
     D00255  Carvedilol (JP18/USP/INN) <JP/US>
    ADRB2
     D00255  Carvedilol (JP18/USP/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00255  Carvedilol
  D00255  Carvedilol tablets
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D00255
 Drug transporters
  D00255
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D00255
Other DBs
CAS: 72956-09-3
PubChem: 9092
ChEBI: 3441
NIKKAJI: J33.955E
LinkDB
KCF data

ATOM        30
            1   C8y C    17.5000  -16.5200
            2   C8y C    16.1700  -16.0300
            3   C8y C    17.5000  -17.9200
            4   C8y C    18.7600  -15.8200
            5   C8y C    15.3300  -17.1500
            6   C8x C    15.6800  -14.7000
            7   N4x N    16.1700  -18.3400
            8   C8x C    18.6900  -18.6200
            9   C8x C    19.9500  -16.5200
            10  O2a O    18.7600  -14.4200
            11  C8x C    13.9300  -16.9400
            12  C8x C    14.2800  -14.5600
            13  C8x C    19.9500  -17.9200
            14  C1b C    20.0200  -13.7200
            15  C8x C    13.4400  -15.6800
            16  C1c C    21.2100  -14.4900
            17  C1b C    22.4700  -13.7900
            18  O1a O    21.2100  -15.8900
            19  N1b N    23.5900  -14.5600
            20  C1b C    24.8500  -13.8600
            21  C1b C    26.0400  -14.5600
            22  O2a O    27.2300  -13.9300
            23  C8y C    28.4900  -14.6300
            24  C8y C    28.4900  -16.0300
            25  C8x C    29.6800  -14.0000
            26  C8x C    29.6100  -16.8000
            27  O2a O    27.2300  -16.6600
            28  C8x C    30.8700  -14.7000
            29  C8x C    30.8700  -16.1000
            30  C1a C    25.9700  -15.9600
BOND        33
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    6  12 2
            12    8  13 2
            13   10  14 1
            14   11  15 2
            15   14  16 1
            16   16  17 1
            17   16  18 1
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 2
            24   23  25 1
            25   24  26 1
            26   24  27 1
            27   25  28 2
            28   26  29 2
            29   27  30 1
            30    5   7 1
            31    9  13 1
            32   12  15 1
            33   28  29 1

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