KEGG   DRUG: Nylestriol
Entry
D05212                      Drug                                   
Name
Nylestriol (USAN);
Nilestriol (INN)
Formula
C25H32O3
Exact mass
380.2351
Mol weight
380.5198
Structure
Simcomp
Class
Hormonal agent
 DG01986  Estrogen
 DG01584  Estrogen receptor agonist
Efficacy
Replenisher (estrogen)
Comment
Estrogen
Interaction
Brite
Drug groups [BR:br08330]
 Hormonal agent
  DG01986  Estrogen
   D05212  Nylestriol
  DG01584  Estrogen receptor agonist
   D05212  Nylestriol
Other DBs
CAS: 39791-20-3
PubChem: 47206931
LigandBox: D05212
NIKKAJI: J16.450J
LinkDB
KCF data

ATOM        28
            1   C8y C    31.6581  -18.0945
            2   C8y C    31.6522  -19.4765
            3   C8x C    30.4708  -17.3975
            4   C8x C    30.4708  -20.1676
            5   C8x C    29.2599  -18.0945
            6   C8y C    29.2599  -19.4765
            7   O2a O    28.0551  -20.1618
            8   C1y C    26.8418  -19.4510
            9   C1x C    26.8418  -18.0510
            10  C1x C    25.5103  -17.6183
            11  C1x C    24.6874  -18.7510
            12  C1x C    25.5103  -19.8836
            13  C1x C    32.8616  -20.1817
            14  C1x C    34.0770  -19.4868
            15  C1y C    34.0829  -18.1049
            16  C1y C    32.8735  -17.3997
            17  C1y C    35.2983  -17.4100
            18  C1z C    35.3043  -16.0101
            19  C1x C    34.0949  -15.3049
            20  C1x C    32.8795  -15.9997
            21  C1x C    37.7232  -17.4204
            22  C1y C    37.7292  -16.0204
            23  C1z C    36.5197  -15.3152
            24  C1a C    35.3043  -14.6101
            25  O1a O    36.5197  -13.6352
            26  C3b C    37.7322  -14.6152
            27  O1a O    38.9411  -15.3276
            28  C3a C    38.9446  -13.9152
BOND        32
            1     1   2 1
            2     1   3 2
            3     2   4 2
            4     3   5 1
            5     4   6 1
            6     6   7 1
            7     5   6 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    8  12 1
            14    2  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    1  16 1
            19   15  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   16  20 1
            24   17  21 1
            25   21  22 1
            26   22  23 1
            27   18  23 1
            28   18  24 1 #Up
            29   23  25 1 #Up
            30   23  26 1 #Down
            31   22  27 1 #Down
            32   26  28 3

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