KEGG   COMPOUND: C06842
Entry
C06842                      Compound                               
Name
Beclomethasone
Formula
C22H29ClO5
Exact mass
408.1704
Mol weight
408.9157
Structure
Remark
Same as: D07495
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
      D07495  Beclometasone (INN)
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AC Corticosteroids, potent (group III)
     D07AC15 Beclometasone
      D07495  Beclometasone (INN)
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AD Corticosteroids
     R01AD01 Beclometasone
      D07495  Beclometasone (INN)
  R03 DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES
   R03B OTHER DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES, INHALANTS
    R03BA Glucocorticoids
     R03BA01 Beclometasone
      D07495  Beclometasone (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00097  Beclometasone
     D07495  Beclometasone
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07495  Beclometasone (INN)
Other DBs
CAS: 4419-39-0
PubChem: 9060
ChEBI: 3001
PDB-CCD: GXR[PDBj]
NIKKAJI: J8.720C
KCF data

ATOM        28
            1   C1z C    27.7498  -18.0772
            2   C1y C    28.8517  -18.7126
            3   C1z C    26.6478  -18.7126
            4   C1y C    27.7498  -16.8178
            5   X   Cl   27.7206  -19.3539
            6   C1y C    29.9361  -18.0829
            7   C1x C    28.8400  -19.9777
            8   C2y C    26.6478  -19.9777
            9   C2x C    25.5517  -18.0772
            10  C1a C    26.6362  -17.4417
            11  C1x C    28.8517  -16.1824
            12  O1a O    26.6478  -16.1824
            13  C1z C    29.9418  -16.8178
            14  C1x C    32.1340  -18.0829
            15  C1x C    27.7498  -20.6133
            16  C2x C    25.5517  -20.6133
            17  C2x C    24.4558  -18.7126
            18  C1z C    31.0379  -16.1882
            19  C1a C    29.9709  -15.2612
            20  C1y C    32.1397  -16.8178
            21  C5x C    24.4558  -19.9777
            22  C5a C    31.0496  -14.2993
            23  O1a O    32.2097  -15.2554
            24  C1a C    33.2358  -16.1941
            25  O5x O    23.3597  -20.6133
            26  O5a O    29.4289  -13.3373
            27  C1b C    32.2997  -13.5928
            28  O1a O    33.4780  -14.2876
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    4  12 1 #Up
            12    6  13 1
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 2
            17   13  18 1
            18   13  19 1 #Up
            19   14  20 1
            20   16  21 1
            21   18  22 1 #Up
            22   18  23 1 #Down
            23   20  24 1 #Up
            24   21  25 2
            25   22  26 2
            26    8  15 1
            27   11  13 1
            28   17  21 1
            29   18  20 1
            30   22  27 1
            31   27  28 1

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (5)   

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