KEGG   DRUG: Flurogestone acetateHelp
Entry
D04235                      Drug                                   

Name
Flurogestone acetate (USAN)
Formula
C23H31FO5
Exact mass
406.2156
Mol weight
406.4876
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C15432
Efficacy
Estuary inducer (veterinary)
Comment
Progestin
Other DBs
CAS: 2529-45-5
PubChem: 47206181
ChEBI: 79932
ChEMBL: CHEMBL1552265 CHEMBL2106773
LigandBox: D04235
NIKKAJI: J7.601E
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    20.0900  -21.6300
            2   C5x C    20.0900  -22.9600
            3   C2x C    21.2800  -23.6600
            4   C2y C    22.4700  -22.9600
            5   C1z C    22.4700  -21.6300
            6   C1x C    21.2800  -20.9300
            7   C1x C    23.7300  -23.6600
            8   C1x C    24.9200  -22.9600
            9   C1y C    24.9200  -21.6300
            10  C1z C    23.7300  -20.9300
            11  C1y C    26.1800  -20.9300
            12  C1z C    26.1800  -19.4600
            13  C1x C    24.9200  -18.7600
            14  C1y C    23.7300  -19.4600
            15  O5x O    18.9000  -23.6600
            16  C1a C    22.4700  -20.2300
            17  O1a O    22.4700  -18.7600
            18  C1a C    26.1800  -18.0600
            19  X   F    23.7300  -22.2600
            20  C1x C    28.6049  -20.9300
            21  C1x C    28.6049  -19.4600
            22  C1z C    27.3924  -18.7600
            23  C5a C    27.3924  -17.3602
            24  C1a C    26.1632  -16.6503
            25  O5a O    28.5880  -16.6698
            26  O7a O    28.5879  -18.0696
            27  C7a C    29.7753  -18.7551
            28  C1a C    30.9665  -18.0671
            29  O6a O    29.7755  -20.1598
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 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
            30   26  27 1
            31   27  28 1
            32   27  29 2

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