KEGG   COMPOUND: C12656Help
Entry
C12656                      Compound                               

Name
Paramethasone acetate
Formula
C24H31FO6
Exact mass
434.2105
Mol weight
434.4977
Structure
Mol fileKCF fileDB search
Remark
Same as: D01229
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST02 Steroids
   ST0203 C21 steroids (gluco/mineralocorticoids, progestogens) and derivatives
    C12656  Paramethasone acetate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB05 Paramethasone
      D01229  Paramethasone acetate (JAN/USP)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D01229  Paramethasone acetate (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 1597-82-6
PubChem: 583046
ChEBI: 31963
ChEMBL: CHEMBL1200342 CHEMBL302089
LIPIDMAPS: LMST02030123
NIKKAJI: J7.525F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1y C    24.4451  -21.6874
            2   C1y C    25.6855  -21.0149
            3   C1y C    23.2740  -20.9975
            4   C1x C    24.4451  -23.0439
            5   C1z C    25.7035  -19.6642
            6   C1x C    28.0280  -20.9743
            7   C1z C    22.0972  -21.6757
            8   C1y C    23.2156  -19.6468
            9   C1y C    23.2624  -23.7163
            10  C1z C    26.8103  -19.0033
            11  C1x C    24.4683  -18.9744
            12  C1a C    25.7261  -18.3135
            13  C1y C    27.9754  -19.6933
            14  C2y C    22.0915  -23.0323
            15  C2x C    20.9204  -20.9917
            16  C1a C    22.0220  -20.3714
            17  O1a O    22.1147  -18.9569
            18  X   F    23.2567  -25.0844
            19  C5a C    26.8275  -17.2240
            20  O1a O    27.9291  -18.1745
            21  C1a C    29.4361  -19.3454
            22  C2x C    20.9204  -23.7104
            23  C2x C    19.7380  -21.6757
            24  C1b C    28.0159  -16.5631
            25  O5a O    25.6567  -16.5341
            26  C5x C    19.7380  -23.0323
            27  O7a O    29.1811  -17.2529
            28  O5x O    18.5669  -23.7104
            29  C7a C    30.3899  -16.5725
            30  C1a C    31.5833  -17.2790
            31  O6a O    30.4050  -15.1856
BOND        34
            1     1   4 1
            2     2   5 1
            3     2   6 1
            4     3   7 1
            5     3   8 1
            6     4   9 1
            7     5  10 1
            8     5  11 1
            9     5  12 1 #Up
            10    6  13 1
            11    7  14 1
            12    7  15 1
            13    7  16 1 #Up
            14    8  17 1 #Up
            15    9  18 1 #Down
            16   10  19 1 #Up
            17   10  20 1 #Down
            18   13  21 1 #Down
            19   14  22 2
            20   15  23 2
            21   19  24 1
            22   19  25 2
            23   22  26 1
            24   24  27 1
            25   26  28 2
            26    8  11 1
            27    9  14 1
            28   10  13 1
            29   23  26 1
            30   27  29 1
            31    1   2 1
            32   29  30 1
            33    1   3 1
            34   29  31 2

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