KEGG   DRUG: Beclomethasone dipropionate monohydrate
Entry
D11572                      Drug                                   
Name
Beclomethasone dipropionate monohydrate;
Beconase aq (TN)
Formula
C28H37ClO7. H2O
Exact mass
538.2333
Mol weight
539.05
Structure
Simcomp
Class
Anti-inflammatory
 DG01955  Corticosteroid
  DG02068  Glucocorticoid
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
ATC code: A07EA07 D07AC15 R01AD01 R03BA01
Chemical structure group: DG00097
Product (DG00097): D00689<JP/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
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07E INTESTINAL ANTIINFLAMMATORY AGENTS
    A07EA Corticosteroids acting locally
     A07EA07 Beclometasone
      D11572  Beclomethasone dipropionate monohydrate
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC15 Beclometasone
      D11572  Beclomethasone dipropionate monohydrate
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD01 Beclometasone
      D11572  Beclomethasone dipropionate monohydrate
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BA Glucocorticoids
     R03BA01 Beclometasone
      D11572  Beclomethasone dipropionate monohydrate
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00097  Beclometasone
     D11572  Beclomethasone dipropionate monohydrate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    D11572  Beclomethasone dipropionate monohydrate
Drug classes [BR:br08332]
 Anti-inflammatory
  DG01955  Corticosteroid
   D11572  Beclomethasone dipropionate monohydrate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D11572  Beclomethasone dipropionate monohydrate
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11572
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00097  Beclometasone
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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