KEGG   COMPOUND: C14629
Entry
C14629                      Compound                               

Name
Fluorometholone 17-acetate;
9-Fluoro-11beta,17-dihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione 17-acetate;
6alpha-Methyl-9alpha-fluoro-17-acetoxy-21-deoxyprednisolone
Formula
C24H31FO5
Exact mass
418.2156
Mol weight
418.4983
Structure
Remark
Same as: D04221
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AA Corticosteroids
     C05AA06 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
 D DERMATOLOGICALS
  D07 CORTICOSTEROIDS, DERMATOLOGICAL PREPARATIONS
   D07A CORTICOSTEROIDS, PLAIN
    D07AB Corticosteroids, moderately potent (group II)
     D07AB06 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
   D07X CORTICOSTEROIDS, OTHER COMBINATIONS
    D07XB Corticosteroids, moderately potent, other combinations
     D07XB04 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
  D10 ANTI-ACNE PREPARATIONS
   D10A ANTI-ACNE PREPARATIONS FOR TOPICAL USE
    D10AA Corticosteroids, combinations for treatment of acne
     D10AA01 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01B ANTIINFLAMMATORY AGENTS
    S01BA Corticosteroids, plain
     S01BA07 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
   S01C ANTIINFLAMMATORY AGENTS AND ANTIINFECTIVES IN COMBINATION
    S01CB Corticosteroids/antiinfectives/mydriatics in combination
     S01CB05 Fluorometholone
      D04221  Fluorometholone acetate (USP) <US>
USP drug classification [BR:br08302]
 Ophthalmic Agents
  Ophthalmic Anti-inflammatories
   Glucocorticoids, Ophthalmic
    Fluorometholone
     D04221  Fluorometholone acetate (USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D04221  Fluorometholone acetate (USP) <US>
Other DBs
CAS: 3801-06-7
PubChem: 17395629
ChEBI: 78354
ChEMBL: CHEMBL1201064
NIKKAJI: J217.687D
LinkDB
KCF data

ATOM        30
            1   C2x C    21.0972  -20.9992
            2   C5x C    21.0972  -22.3594
            3   C2x C    22.2751  -23.0394
            4   C2y C    23.4530  -22.3594
            5   C1z C    23.4530  -20.9992
            6   C2x C    22.2751  -20.3192
            7   C1y C    24.6309  -23.0394
            8   C1x C    25.8088  -22.3594
            9   C1y C    25.8088  -20.9992
            10  C1z C    24.6309  -20.3192
            11  C1y C    26.9867  -20.3192
            12  C1z C    26.9867  -18.9591
            13  C1x C    25.8088  -18.2791
            14  C1y C    24.6309  -18.9591
            15  C1x C    29.3424  -20.3192
            16  C1x C    29.3424  -18.9591
            17  C1z C    28.1645  -18.2791
            18  X   F    24.6335  -21.6793
            19  C1a C    27.0137  -17.5991
            20  C5a C    28.1697  -16.9190
            21  C1a C    29.3534  -16.2417
            22  C1a C    23.4500  -19.6000
            23  O1a O    23.4300  -18.2658
            24  C1a C    24.6400  -24.4300
            25  O5x O    19.8777  -23.0638
            26  O5a O    26.9474  -16.2066
            27  O7a O    29.3300  -17.5700
            28  C7a C    30.5582  -18.2420
            29  C1a C    31.7643  -17.5077
            30  O6a O    30.5906  -19.6700
BOND        33
            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   10  18 1 #Down
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   20  21 1
            25    5  22 1 #Up
            26   14  23 1 #Up
            27    7  24 1 #Down
            28    2  25 2
            29   20  26 2
            30   17  27 1 #Down
            31   27  28 1
            32   28  29 1
            33   28  30 2

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