KEGG   DRUG: Regadenoson
Entry
D12568                      Drug                                   
Name
Regadenoson (INN);
Regadenoson anhydrous
Product
  Generic
REGADENOSON (Apotex Corp.), REGADENOSON (Apotex Corp.), REGADENOSON (Baxter Healthcare Corporation), REGADENOSON (Dr. Reddy's Laboratories), REGADENOSON (Eugia US LLC), REGADENOSON (GE Healthcare), REGADENOSON (Hospira), REGADENOSON (Indies Pharma Jamaica Limited), REGADENOSON (International Medication Systems)
Formula
C15H18N8O5
Exact mass
390.1400
Mol weight
390.35
Structure
Remark
ATC code: C01EB21
Chemical structure group: DG03262
Product (DG03262): D12568<US> D05711<US>
Efficacy
Vasodilator (coronary), Adenosine A2a receptor agonist
Target
ADORA2A [HSA:135] [KO:K04266]
  Pathway
hsa04024  cAMP signaling pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C01 CARDIAC THERAPY
   C01E OTHER CARDIAC PREPARATIONS
    C01EB Other cardiac preparations
     C01EB21 Regadenoson
      D12568  Regadenoson (INN) <US>
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adenosine
    ADORA2A
     D12568  Regadenoson (INN) <US>
Other DBs
CAS: 313348-27-5
PubChem: 497620981
LinkDB
KCF data

ATOM        28
            1   C1y C    15.6260  -13.8041
            2   C1y C    16.9574  -13.8041
            3   C1y C    17.4479  -12.4728
            4   O2x O    16.2567  -11.6319
            5   C1y C    15.1355  -12.4728
            6   O1a O    14.9253  -14.9954
            7   O1a O    17.6581  -14.9954
            8   N4y N    18.7092  -12.0523
            9   C1b C    13.8742  -12.0523
            10  O1a O    12.8231  -12.9633
            11  C8y C    19.7602  -12.9633
            12  C8y C    20.9515  -12.3326
            13  N5x N    20.6712  -10.9312
            14  C8x C    19.3398  -10.7911
            15  N5x N    19.7602  -14.3647
            16  C8y C    20.9515  -15.0654
            17  N5x N    22.2128  -14.4348
            18  C8y C    22.1427  -13.0334
            19  N1a N    23.4040  -12.2626
            20  N4y N    20.9515  -16.5369
            21  N5x N    19.8303  -17.3778
            22  C8x C    20.3208  -18.7092
            23  C8y C    21.7223  -18.7092
            24  C8x C    22.1427  -17.3077
            25  O5a O    21.7223  -21.1617
            26  C5a C    22.4230  -19.9705
            27  N1b N    23.8244  -19.9705
            28  C1a C    24.5251  -21.1617
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     1   6 1 #Down
            7     2   7 1 #Down
            8     3   8 1 #Up
            9     5   9 1 #Up
            10    9  10 1
            11    8  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 2
            15    8  14 1
            16   11  15 2
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   12  18 2
            21   18  19 1
            22   16  20 1
            23   20  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   20  24 1
            28   25  26 2
            29   23  26 1
            30   26  27 1
            31   27  28 1

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