KEGG   COMPOUND: C06875Help
Entry
C06875                      Compound                               

Name
Carvedilol
Formula
C24H26N2O4
Exact mass
406.1893
Mol weight
406.4742
Structure
Mol fileKCF fileDB search
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 (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Beta-adrenergic Blocking Agents
   Carvedilol
    D00255  Carvedilol (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  21  Cardiovascular agents
   214  Antihypertensives
    2149  Others
     D00255  Carvedilol (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00255  Carvedilol (JAN/USAN/INN) <JP/US>
    ADRB1
     D00255  Carvedilol (JAN/USAN/INN) <JP/US>
    ADRB2
     D00255  Carvedilol (JAN/USAN/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00255  Carvedilol
  D00255  Carvedilol tablets
Drug classes of therapeutic agents [br08360.html]
 Cardiovascular agents
  D00255
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and germline mutations
  D00255
BRITE hierarchy
Other DBs
CAS: 72956-09-3
PubChem: 9092
ChEBI: 3441
ChEMBL: CHEMBL723
NIKKAJI: J33.955E
LinkDB All DBs
KCF data Show

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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