KEGG   DRUG: Beclomethasone dipropionate monohydrate
Entry
D11572                      Drug                                   

Name
Beclomethasone dipropionate monohydrate;
Beconase aq (TN)
Product
Formula
C28H37ClO7. H2O
Exact mass
538.2333
Mol weight
539.0575
Structure
Simcomp
Remark
Chemical structure group: DG00097
Product (DG00097): D00689<JP/US> D11572<US>
Efficacy
Anti-inflammatory, Glucocorticoid receptor agonist
  Disease
Allergic rhinitis [DS:H01360]
Target
NR3C1 (GR) [HSA:2908] [KO:K05771]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D11572  Beclomethasone dipropionate monohydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11572
Other DBs
CAS: 77011-63-3
PubChem: 384585547
LinkDB
KCF data

ATOM        37
            1   C1z C    20.4617  -15.7826
            2   C1z C    19.2745  -16.4111
            3   C1y C    21.6489  -16.4810
            4   C5a C    20.4617  -13.9669
            5   O7a O    21.6489  -15.0843
            6   C1y C    19.2745  -17.8078
            7   C1x C    18.0873  -15.7128
            8   C1a C    19.2745  -15.0145
            9   C1x C    21.6489  -17.8078
            10  C1a C    22.8361  -17.1095
            11  C1b C    19.2745  -13.2686
            12  O5a O    21.7187  -13.2686
            13  C7a C    23.0456  -15.0843
            14  C1y C    18.0873  -18.4364
            15  C1y C    16.9002  -16.4111
            16  O7a O    18.0873  -13.9669
            17  C1b C    23.6741  -13.8971
            18  O6a O    23.6741  -16.2715
            19  C1z C    16.9002  -17.7380
            20  C1x C    18.0873  -19.7632
            21  O1a O    15.7828  -15.7128
            22  C7a C    16.9002  -13.2686
            23  C1a C    25.0708  -13.8971
            24  C1z C    15.7130  -18.4364
            25  X   Cl   16.9002  -19.1347
            26  C1x C    16.9002  -20.4616
            27  C1b C    15.7130  -13.9669
            28  O6a O    16.9002  -11.8719
            29  C2y C    15.7130  -19.7632
            30  C2x C    14.5956  -17.7380
            31  C1a C    15.7130  -17.0397
            32  C1a C    14.5258  -13.2686
            33  C2x C    14.5956  -20.4616
            34  C2x C    13.4084  -18.4364
            35  C5x C    13.4084  -19.7632
            36  O5x O    12.2212  -20.4616
            37  O0  O    26.0400  -20.0900
BOND        39
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 2
            12    5  13 1
            13    6  14 1
            14    7  15 1
            15   11  16 1
            16   13  17 1
            17   13  18 2
            18   14  19 1
            19   14  20 1
            20   15  21 1 #Up
            21   16  22 1
            22   17  23 1
            23   19  24 1
            24   19  25 1 #Down
            25   20  26 1
            26   22  27 1
            27   22  28 2
            28   24  29 1
            29   24  30 1
            30   24  31 1 #Up
            31   27  32 1
            32   29  33 2
            33   30  34 2
            34   33  35 1
            35   35  36 2
            36    6   9 1
            37   15  19 1
            38   26  29 1
            39   34  35 1

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