KEGG   DRUG: FlugestoneHelp
Entry
D07968                      Drug                                   

Name
Flugestone (INN);
Syncro-Part (TN)
Formula
C21H29FO4
Exact mass
364.205
Mol weight
364.451
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Estuary inducer (veterinary)
Comment
Progestin
Other DBs
CAS: 337-03-1
PubChem: 96024663
ChEMBL: CHEMBL3183078
LigandBox: D07968
NIKKAJI: J66.974A
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1x C    21.2800  -21.5600
            2   C5x C    21.2800  -22.8900
            3   C2x C    22.4700  -23.5900
            4   C2y C    23.6600  -22.8900
            5   C1z C    23.6600  -21.5600
            6   C1x C    22.4700  -20.8600
            7   C1x C    24.9200  -23.5900
            8   C1x C    26.1100  -22.8900
            9   C1y C    26.1100  -21.5600
            10  C1z C    24.9200  -20.8600
            11  C1y C    27.3700  -20.8600
            12  C1z C    27.3700  -19.3900
            13  C1x C    26.1100  -18.6900
            14  C1y C    24.9200  -19.3900
            15  O5x O    20.0900  -23.5900
            16  C1a C    23.6600  -20.1600
            17  O1a O    23.6600  -18.6900
            18  C1a C    27.3700  -17.9900
            19  X   F    24.9200  -22.1900
            20  C1x C    29.7949  -20.8600
            21  C1x C    29.7949  -19.3900
            22  C1z C    28.5824  -18.6900
            23  C5a C    28.5824  -17.2902
            24  C1a C    27.3532  -16.5803
            25  O5a O    29.7780  -16.5998
            26  O1a O    29.7779  -17.9996
BOND        29
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            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    2  15 2
            18    5  16 1 #Up
            19   14  17 1 #Up
            20   12  18 1 #Up
            21   10  19 1 #Down
            22   11  20 1
            23   20  21 1
            24   21  22 1
            25   12  22 1
            26   22  23 1 #Up
            27   23  24 1
            28   23  25 2
            29   22  26 1 #Down

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