KEGG   DRUG: Ametantrone acetate
Entry
D02894                      Drug                                   

Name
Ametantrone acetate (USAN)
Formula
C22H28N4O4. (C2H4O2)2
Exact mass
532.2533
Mol weight
532.586
Structure
Class
Antineoplastic
 DG01727  Anthraquinone antineoplastic
Efficacy
Antineoplastic
Comment
anthraquinone derivative
Other DBs
CAS: 70711-40-9
PubChem: 17397051
ChEMBL: CHEMBL2104059
LigandBox: D02894
NIKKAJI: J395.653I
LinkDB
KCF data

ATOM        38
            1   C8x C    17.0800  -15.6100
            2   C8x C    17.0800  -17.0100
            3   C8x C    18.2700  -17.7100
            4   C8y C    19.5300  -17.0100
            5   C8y C    19.5300  -15.6100
            6   C8x C    18.2700  -14.9100
            7   C5x C    20.7200  -17.7100
            8   C8y C    21.9100  -17.0100
            9   C8y C    21.9100  -15.6100
            10  C5x C    20.7200  -14.9100
            11  C8y C    23.1700  -17.7100
            12  C8x C    24.3600  -17.0100
            13  C8x C    24.3600  -15.6100
            14  C8y C    23.1700  -14.9100
            15  O5x O    20.7200  -13.5100
            16  O5x O    20.7200  -19.1100
            17  N1b N    23.1700  -13.5100
            18  N1b N    23.1700  -19.1100
            19  C1b C    24.4300  -19.8100
            20  C1b C    25.6200  -19.1100
            21  C1b C    25.6200  -13.5100
            22  C1b C    24.4300  -12.8100
            23  C1b C    28.0000  -13.5100
            24  N1b N    26.8100  -12.8100
            25  O1a O    30.4500  -13.5100
            26  C1b C    29.1900  -12.8100
            27  N1b N    26.8100  -19.8100
            28  C1b C    28.0000  -19.1100
            29  C1b C    29.2600  -19.8100
            30  O1a O    30.4500  -19.0400
            31  C1a C    35.7700  -17.5700
            32  C6a C    36.9600  -16.8700
            33  O6a O    38.1500  -17.5700
            34  O6a O    36.9600  -15.4700
            35  C1a C    35.7700  -17.5700
            36  C6a C    36.9600  -16.8700
            37  O6a O    38.1500  -17.5700
            38  O6a O    36.9600  -15.4700
BOND        38
            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     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16    9  14 2
            17   10  15 2
            18    7  16 2
            19   14  17 1
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   21  22 1
            24   22  17 1
            25   23  24 1
            26   24  21 1
            27   25  26 1
            28   26  23 1
            29   20  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   31  32 1
            34   32  33 1
            35   32  34 2
            36   35  36 1
            37   36  37 1
            38   36  38 2
BRACKET     1    33.8100  -18.8300   33.8100  -14.4200
            1    39.9000  -14.4200   39.9000  -18.8300
            1  2
 ORIGINAL  1   31  32  33  34
 REPEAT    1   35  36  37  38

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