KEGG   COMPOUND: C14618
Entry
C14618                      Compound                               
Name
6alpha-Fluoroprednisolone;
Fluprednisolone;
6alpha-Fluoro-11beta,17alpha,21-trihydroxypregna-1,4-diene-3,20-dione
Formula
C21H27FO5
Exact mass
378.1843
Mol weight
378.4345
Structure
Remark
Same as: D04227
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04227  Fluprednisolone (USAN/INN)
Other DBs
CAS: 53-34-9
PubChem: 17395618
ChEBI: 34474
NIKKAJI: J4.143B
LinkDB
KCF data

ATOM        27
            1   C2x C    16.6673  -19.6648
            2   C5x C    16.6673  -21.0287
            3   C2x C    17.8484  -21.7105
            4   C2y C    19.0294  -21.0287
            5   C1z C    19.0294  -19.6648
            6   C2x C    17.8484  -18.9830
            7   C1y C    20.2105  -21.7105
            8   C1x C    21.3915  -21.0287
            9   C1y C    21.3915  -19.6648
            10  C1y C    20.2105  -18.9830
            11  C1y C    22.5726  -18.9830
            12  C1z C    22.5726  -17.6192
            13  C1x C    21.3915  -16.9374
            14  C1y C    20.2105  -17.6192
            15  C1x C    24.9346  -18.9830
            16  C1x C    24.9346  -17.6192
            17  C1z C    23.7536  -16.9374
            18  C1a C    22.4597  -16.2556
            19  C5a C    23.7588  -15.5737
            20  X   F    20.2196  -23.1048
            21  O5x O    15.4445  -21.7350
            22  C1b C    24.9457  -14.8945
            23  O5a O    22.5333  -14.8593
            24  O1a O    19.0264  -16.9283
            25  O1a O    25.0626  -16.5774
            26  O1a O    26.1403  -15.5906
            27  C1a C    19.0264  -18.2619
BOND        30
            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   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   12  18 1 #Up
            22   17  19 1 #Up
            23    7  20 1 #Down
            24    2  21 2
            25   19  22 1
            26   19  23 2
            27   14  24 1 #Up
            28   17  25 1 #Down
            29   22  26 1
            30    5  27 1 #Up

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