KEGG   DRUG: FlumoxonideHelp
Entry
D04212                      Drug                                   

Name
Flumoxonide (USAN/INN)
Formula
C26H34F2O7
Exact mass
496.2273
Mol weight
496.5408
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Anti-inflammatory
Comment
Adrenocortical steroid
Other DBs
CAS: 60135-22-0
PubChem: 47206158
ChEMBL: CHEMBL2104361
LigandBox: D04212
NIKKAJI: J18.185D
LinkDB All DBs
KCF data Show

ATOM        35
            1   C2x C    19.6000  -28.4200
            2   C5x C    19.6000  -29.7500
            3   C2x C    20.7900  -30.4500
            4   C2y C    21.9100  -29.7500
            5   C1z C    21.9100  -28.4200
            6   C2x C    20.7900  -27.7200
            7   C1y C    23.1000  -30.4500
            8   C1x C    24.3600  -29.7500
            9   C1y C    24.3600  -28.4200
            10  C1z C    23.1000  -27.7200
            11  C1y C    25.4100  -27.7200
            12  C1z C    25.4100  -26.3900
            13  C1x C    24.3600  -25.6900
            14  C1y C    23.1000  -26.3900
            15  C1x C    27.7200  -27.7200
            16  C1y C    27.7200  -26.3900
            17  C1z C    26.5300  -25.6900
            18  O5x O    18.4100  -30.4500
            19  C1a C    21.9100  -27.0200
            20  X   F    23.1000  -29.0500
            21  O1a O    21.9100  -25.6900
            22  C1a C    25.4100  -24.9900
            23  O2x O    27.9300  -24.7800
            24  O2x O    29.1200  -26.3900
            25  X   F    23.1000  -31.8500
            26  C5a C    26.5300  -23.9400
            27  C1z C    29.3300  -24.7800
            28  C1a C    29.3300  -23.3800
            29  C1a C    30.7300  -24.7800
            30  O5a O    27.7424  -23.2400
            31  C1c C    25.3176  -23.2400
            32  O2a O    24.1221  -23.9304
            33  C1a C    22.9347  -23.2449
            34  O2a O    25.3175  -21.8402
            35  C1a C    24.1219  -21.1498
BOND        39
            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    2  18 2
            22    5  19 1 #Up
            23   10  20 1 #Down
            24   14  21 1 #Up
            25   12  22 1 #Up
            26   17  23 1 #Down
            27   16  24 1 #Down
            28    7  25 1 #Down
            29   17  26 1 #Up
            30   23  27 1
            31   27  24 1
            32   27  28 1
            33   27  29 1
            34   26  30 2
            35   26  31 1
            36   31  32 1
            37   32  33 1
            38   31  34 1
            39   34  35 1

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