KEGG   DRUG: D03130Help
Entry
D03130                      Drug                                   

Name
Bisantrene hydrochloride (USAN)
Formula
C22H22N8. 2HCl
Exact mass
470.1501
Mol weight
471.3856
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Other map
Bile secretion
Other DBs
CAS: 
71439-68-4
PubChem: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        32
            1   C8x C    20.0287  -17.4692
            2   C8x C    20.0287  -18.8736
            3   C8x C    21.2449  -19.5759
            4   C8y C    22.4613  -18.8736
            5   C8y C    22.4613  -17.4692
            6   C8x C    21.2449  -16.7670
            7   C8y C    23.6776  -19.5759
            8   C8y C    24.8938  -18.8736
            9   C8y C    24.8938  -17.4692
            10  C8y C    23.6776  -16.7670
            11  C8x C    26.1102  -19.5759
            12  C8x C    27.3264  -18.8736
            13  C8x C    27.3264  -17.4692
            14  C8x C    26.1102  -16.7670
            15  C2b C    23.6776  -15.3625
            16  N2b N    24.8959  -14.6591
            17  C2b C    23.6776  -20.9803
            18  N2b N    24.8959  -21.6838
            19  N1b N    26.1133  -15.3621
            20  C2y C    27.3371  -14.6561
            21  N1b N    26.1191  -20.9773
            22  C2y C    27.3345  -21.6787
            23  N1x N    27.3371  -13.2561
            24  N1x N    27.3345  -23.0787
            25  N2x N    28.6686  -15.0887
            26  C1x C    29.4915  -13.9561
            27  C1x C    28.6686  -12.8235
            28  C1x C    28.6660  -23.5113
            29  C1x C    29.4889  -22.3787
            30  N2x N    28.6660  -21.2461
            31  X   Cl   33.2437  -18.4183
            32  X   Cl   33.2437  -18.4183
BOND        34
            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 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   11  12 2
            14   12  13 1
            15   13  14 2
            16    9  14 1
            17   10  15 1
            18   15  16 2
            19    7  17 1
            20   17  18 2
            21   16  19 1
            22   19  20 1
            23   18  21 1
            24   21  22 1
            25   20  23 1
            26   22  24 1
            27   20  25 2
            28   25  26 1
            29   26  27 1
            30   23  27 1
            31   24  28 1
            32   28  29 1
            33   29  30 1
            34   22  30 2
BRACKET     1    31.4300  -19.3200   31.4300  -17.5700
            1    34.0900  -17.5700   34.0900  -19.3200
            1  2
 ORIGINAL  1   31
 REPEAT    1   32

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