KEGG   DRUG: TafenoquineHelp
Entry
D10490                      Drug                                   

Name
Tafenoquine (USAN)
Product
Formula
C24H28F3N3O3
Exact mass
463.2083
Mol weight
463.4926
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG01834
Product (DG01834): D10490<US>
Efficacy
Antimalarial
Other DBs
CAS: 106635-80-7
PubChem: 172232583
ChEBI: 135752
ChEMBL: CHEMBL298470
LinkDB All DBs
KCF data Show

ATOM        33
            1   C8x C    14.9100  -14.4900
            2   C8x C    14.9100  -13.0200
            3   C8y C    16.1700  -12.3200
            4   C8x C    17.3600  -13.0200
            5   C8y C    17.3600  -14.4900
            6   C8x C    16.1700  -15.1900
            7   O2a O    18.6200  -15.1900
            8   C8y C    18.6200  -16.5900
            9   C8y C    19.8100  -17.2900
            10  C8y C    19.8100  -18.6900
            11  C8y C    18.6200  -19.3900
            12  C8x C    17.3600  -18.6900
            13  C8y C    17.3600  -17.2900
            14  C8y C    21.0700  -16.5900
            15  C8x C    22.3300  -17.2900
            16  C8y C    22.3300  -18.6900
            17  N5x N    21.0700  -19.4600
            18  O2a O    23.5200  -19.4600
            19  C1a C    21.0700  -15.1900
            20  O2a O    16.1700  -16.5900
            21  N1b N    18.6200  -20.8600
            22  C1d C    16.1700  -10.9200
            23  X   F    14.9100  -10.9200
            24  X   F    17.1500  -10.9200
            25  X   F    16.1700   -9.4500
            26  C1a C    14.9800  -17.2900
            27  C1a C    24.7800  -18.7600
            28  C1c C    19.8266  -21.5700
            29  C1b C    21.0363  -20.8847
            30  C1a C    19.8151  -22.9600
            31  C1b C    22.2566  -21.6030
            32  C1b C    23.4658  -20.9187
            33  N1a N    24.6652  -21.6251
BOND        35
            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 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    9  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   10  17 1
            20   16  18 1
            21   14  19 1
            22   13  20 1
            23   11  21 1
            24    3  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1
            28   20  26 1
            29   18  27 1
            30   21  28 1
            31   28  29 1
            32   28  30 1
            33   29  31 1
            34   31  32 1
            35   32  33 1

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