KEGG   COMPOUND: C11195Help
Entry
C11195                      Compound                               

Name
Mitoxantrone
Formula
C22H28N4O6
Exact mass
444.2009
Mol weight
444.4809
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11195  Mitoxantrone
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)
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Mitoxantrone
    D08224  Mitoxantrone (INN)
 Central Nervous System Agents
  Multiple Sclerosis Agents
   Mitoxantrone
    D08224  Mitoxantrone (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Isomerases
   topoisomerase II
    Mitoxantrone
     D08224  Mitoxantrone (INN)
Cytochrome P450 interactions [BR:br08309]
 Transporter substrates
  ABCC2
   Mitoxantrone
    D08224  Mitoxantrone (INN)
  ABCG2
   Mitoxantrone
    D08224  Mitoxantrone (INN)
BRITE hierarchy
Other DBs
CAS: 
65271-80-9
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

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

DBGET integrated database retrieval system