KEGG   DRUG: Fenestrel
Entry
D04146                      Drug                                   

Name
Fenestrel (USAN)
Formula
C16H20O2
Exact mass
244.1463
Mol weight
244.3288
Structure
Simcomp
Efficacy
Contraceptive
Comment
non-steroidal estrogen
Other DBs
CAS: 7698-97-7
PubChem: 47206093
ChEMBL: CHEMBL1699033
LigandBox: D04146
NIKKAJI: J8.962A
KCF data

ATOM        18
            1   C8x C    26.9494  -27.6490
            2   C8x C    26.9494  -29.0489
            3   C8x C    28.1617  -29.7489
            4   C8x C    29.3742  -29.0489
            5   C8y C    29.3742  -27.6490
            6   C8x C    28.1617  -26.9491
            7   C2y C    30.6052  -26.9381
            8   C1y C    31.8103  -27.6337
            9   C1y C    33.0226  -26.9337
            10  C1y C    33.0226  -25.5337
            11  C1x C    31.8174  -24.8381
            12  C2x C    30.6051  -25.5381
            13  C6a C    34.2404  -24.8304
            14  C1a C    34.2541  -27.6444
            15  C1b C    31.8107  -29.0485
            16  C1a C    32.9996  -29.7348
            17  O6a O    35.4523  -25.5298
            18  O6a O    34.2401  -23.4492
BOND        19
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 2
            14   10  13 1
            15    9  14 1
            16    8  15 1
            17   15  16 1
            18   13  17 1
            19   13  18 2

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