KEGG   DRUG: BuphenineHelp
Entry
D07551                      Drug                                   

Name
Buphenine (INN)
Formula
C19H25NO2
Exact mass
299.1885
Mol weight
299.4073
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Cardiovascular agent
 DG01456  Adrenergic receptor agonist
  DG01455  beta-Adrenergic receptor agonist
   DG01452  beta2-Adrenergic receptor agonist
Remark
ATC code: 
Chemical group: 
Activity
Vasodilator (peripheric), beta2-Adrenergic receptor agonist
Target
ADRB2 [HSA:154] [KO:K04142]
  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
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AA 2-amino-1-phenylethanol derivatives
     C04AA02 Buphenine
      D07551  Buphenine (INN)
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G02 OTHER GYNECOLOGICALS
   G02C OTHER GYNECOLOGICALS
    G02CA Sympathomimetics, labour repressants
     G02CA02 Buphenine
      D07551  Buphenine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    beta1-adrenergic receptor
     Buphenine
      D07551  Buphenine (INN)
    beta2-adrenergic receptor
     Buphenine
      D07551  Buphenine (INN)
    beta3-adrenergic receptor
     Buphenine
      D07551  Buphenine (INN)
BRITE hierarchy
Other DBs
CAS: 
447-41-6
PubChem: 
ChEMBL: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        22
            1   C8y C    23.5200  -16.5900
            2   C8x C    24.7100  -15.8900
            3   C8x C    25.9700  -16.5200
            4   C8x C    25.9700  -17.9200
            5   C8x C    24.7100  -18.6200
            6   C8x C    23.5200  -17.9900
            7   C8x C    12.5300  -15.8200
            8   C8y C    12.5300  -14.4200
            9   C8x C    13.7900  -13.7200
            10  C8x C    14.9800  -14.4200
            11  C8y C    14.9800  -15.8200
            12  C8x C    13.7900  -16.5200
            13  C1c C    16.1700  -16.5200
            14  C1c C    17.4300  -15.8200
            15  N1b N    18.6200  -16.5200
            16  C1c C    19.8800  -15.8200
            17  C1b C    21.0700  -16.5200
            18  C1b C    22.3300  -15.8900
            19  O1a O    11.3400  -13.7200
            20  O1a O    16.1700  -17.9200
            21  C1a C    17.4300  -14.4200
            22  C1a C    19.8800  -14.4200
BOND        23
            1    10  11 1
            2    11  12 2
            3    12   7 1
            4     5   6 2
            5    11  13 1
            6     6   1 1
            7    13  14 1
            8    14  15 1
            9    15  16 1
            10    1   2 2
            11   16  17 1
            12    2   3 1
            13   17  18 1
            14   18   1 1
            15    3   4 2
            16    8  19 1
            17    4   5 1
            18   13  20 1
            19    7   8 2
            20   14  21 1
            21    8   9 1
            22   16  22 1
            23    9  10 2

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