KEGG   COMPOUND: C14668Help
Entry
C14668                      Compound                               

Name
Cortancyl;
Prednisone 21-acetate;
21-Acetoxy-17alpha-hydroxypregna-1,4-diene-3,11,20-trione
Formula
C23H28O6
Exact mass
400.1886
Mol weight
400.4648
Structure
Mol fileKCF fileDB search
Remark
Same as: D08416
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
     A07EA03 Prednisone
      D08416  Prednisone acetate
 H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
  H02 CORTICOSTEROIDS FOR SYSTEMIC USE
   H02A CORTICOSTEROIDS FOR SYSTEMIC USE, PLAIN
    H02AB Glucocorticoids
     H02AB07 Prednisone
      D08416  Prednisone acetate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C1 (GR)
     D08416  Prednisone acetate
BRITE hierarchy
Other DBs
CAS: 125-10-0
PubChem: 17395667
ChEBI: 34655
ChEMBL: CHEMBL1507567
NIKKAJI: J86.135I
LinkDB All DBs
KCF data Show

ATOM        29
            1   C2x C    21.0487  -21.3705
            2   C5x C    21.0487  -22.7321
            3   C2x C    22.2278  -23.4128
            4   C2y C    23.4068  -22.7321
            5   C1z C    23.4068  -21.3705
            6   C2x C    22.2278  -20.6898
            7   C1x C    24.5860  -23.4128
            8   C1x C    25.7650  -22.7321
            9   C1y C    25.7650  -21.3705
            10  C1y C    24.5860  -20.6898
            11  C1y C    26.9442  -20.6898
            12  C1z C    26.9442  -19.3284
            13  C1x C    25.7650  -18.6477
            14  C5x C    24.5860  -19.3284
            15  C1x C    29.3022  -20.6898
            16  C1x C    29.3022  -19.3284
            17  C1z C    28.1231  -18.6477
            18  C1a C    26.9712  -17.9670
            19  C5a C    28.1283  -17.2862
            20  C1a C    23.4038  -19.9699
            21  C1b C    29.3127  -16.6085
            22  O5x O    19.8448  -23.4274
            23  O7a O    30.5270  -17.3160
            24  O1a O    29.4700  -18.2700
            25  O5a O    26.9290  -16.5875
            26  O5x O    23.3579  -18.6194
            27  C7a C    31.7480  -16.6177
            28  C1a C    32.9687  -17.3295
            29  O6a O    31.7533  -15.1903
BOND        32
            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    5  20 1 #Up
            24   19  21 1
            25    2  22 2
            26   21  23 1
            27   17  24 1 #Down
            28   19  25 2
            29   14  26 2
            30   23  27 1
            31   27  28 1
            32   27  29 2

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