KEGG   COMPOUND: C21553
Entry
C21553                      Compound                               
Name
Fluocortin
Formula
C22H27FO5
Exact mass
390.1843
Mol weight
390.44
Structure
Remark
Same as: D07972
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB04 Fluocortin
      D07972  Fluocortin (INN)
Drug groups [BR:br08330]
 Anti-inflammatory
  DG01955  Corticosteroid
   DG02068  Glucocorticoid
    DG00413  Fluocortin
     D07972  Fluocortin
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D07972  Fluocortin (INN)
Other DBs
CAS: 33124-50-4
PubChem: 336445191
ChEBI: 182409
LinkDB
KCF data

ATOM        28
            1   C2x C    14.4779  -17.6792
            2   C5x C    14.4779  -18.9887
            3   C2x C    15.6495  -19.6778
            4   C2y C    16.8211  -18.9887
            5   C1z C    16.8211  -17.6792
            6   C2x C    15.6495  -16.9900
            7   C1y C    18.0617  -19.6778
            8   C1x C    19.2333  -18.9887
            9   C1y C    19.2333  -17.6792
            10  C1y C    18.0617  -16.9900
            11  C1y C    20.4049  -16.9900
            12  C1z C    20.4049  -15.6117
            13  C1x C    19.2333  -14.9225
            14  C1y C    18.0617  -15.6117
            15  O5x O    13.3063  -19.6778
            16  C1a C    16.8211  -16.3008
            17  O1a O    16.8211  -14.9225
            18  C1a C    20.4049  -14.2333
            19  X   F    18.0617  -21.0562
            20  C1x C    22.7923  -16.9900
            21  C1y C    22.7923  -15.6117
            22  C1y C    21.5985  -14.9225
            23  C1a C    24.0044  -14.9117
            24  C5a C    21.5985  -13.4065
            25  C6a C    20.3883  -12.7076
            26  O5a O    22.7757  -12.7267
            27  O6a O    19.2031  -13.3919
            28  O6a O    20.3885  -11.3388
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 2
            18    5  16 1 #Up
            19   14  17 1 #Up
            20   12  18 1 #Up
            21    7  19 1 #Down
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   21  23 1 #Down
            27   22  24 1 #Up
            28   24  25 1
            29   24  26 2
            30   25  27 1
            31   25  28 2

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