KEGG   COMPOUND: C11195
Entry
C11195                      Compound                               
Name
Mitoxantrone
Formula
C22H28N4O6
Exact mass
444.2009
Mol weight
444.4809
Structure
Remark
Same as: D08224
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DB Anthracyclines and related substances
     L01DB07 Mitoxantrone
      D08224  Mitoxantrone (INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01727  Anthraquinone antineoplastic
   DG00701  Mitoxantrone
    D08224  Mitoxantrone
  DG01529  Topoisomerase inhibitor
   DG01527  Topoisomerase II inhibitor
    DG00701  Mitoxantrone
     D08224  Mitoxantrone
 Transporter substrate
  DG02861  ABCC2 substrate
   DG00701  Mitoxantrone
    D08224  Mitoxantrone
  DG01913  ABCG2 substrate
   DG00701  Mitoxantrone
    D08224  Mitoxantrone
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases (EC5)
   DNA topoisomerase
    TOP2
     D08224  Mitoxantrone (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D08224
Other DBs
CAS: 65271-80-9
PubChem: 13376
ChEBI: 50729
PDB-CCD: MIX[PDBj]
NIKKAJI: J19.969I
KCF data

ATOM        32
            1   C8x C    18.3866  -16.2805
            2   C8x C    18.3866  -17.6802
            3   C8y C    19.6028  -18.3837
            4   C8y C    19.6028  -15.5841
            5   C8y C    20.8119  -16.2805
            6   C8y C    20.8060  -17.6802
            7   C5x C    22.0163  -18.3888
            8   C5x C    22.0281  -15.5891
            9   C8y C    23.2313  -16.2908
            10  C8y C    23.2654  -17.6868
            11  C8y C    24.4692  -18.3994
            12  C8x C    25.6857  -17.7086
            13  C8x C    25.7217  -16.3126
            14  C8y C    24.4477  -15.6070
            15  O1a O    19.5895  -14.1841
            16  O5x O    22.0164  -14.1841
            17  N1b N    24.4130  -14.2052
            18  O1a O    19.5895  -19.7837
            19  O5x O    22.0491  -19.7837
            20  N1b N    24.5319  -19.7977
            21  C1b C    25.6930  -13.4946
            22  C1b C    26.9029  -14.1981
            23  N1b N    28.1128  -13.4875
            24  C1b C    29.3228  -14.1910
            25  C1b C    30.5327  -13.4807
            26  O1a O    31.7427  -14.1841
            27  C1b C    25.6720  -20.4942
            28  C1b C    26.8818  -19.7906
            29  N1b N    28.0917  -20.4871
            30  C1b C    29.3018  -19.7837
            31  C1b C    30.5116  -20.4801
            32  O1a O    31.7216  -19.7766
BOND        34
            1     4  15 1
            2     6   7 1
            3     8  16 2
            4     7  10 1
            5    14  17 1
            6     9   8 1
            7     3  18 1
            8     8   5 1
            9     7  19 2
            10    5   4 2
            11   11  20 1
            12    4   1 1
            13   17  21 1
            14   21  22 1
            15    1   2 2
            16   22  23 1
            17    2   3 1
            18   23  24 1
            19    3   6 2
            20   24  25 1
            21    9  10 2
            22   25  26 1
            23   10  11 1
            24   20  27 1
            25   11  12 2
            26   27  28 1
            27   12  13 1
            28   28  29 1
            29   13  14 2
            30   29  30 1
            31   14   9 1
            32   30  31 1
            33    5   6 1
            34   31  32 1

» Japanese version

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Drug (1)   
   KEGG DRUG (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (1)   
   NIKKAJI (1)   
   PDB-CCD (1)   
All databases (6)   

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