Marvin  09290812162D          

 34 34  0  0  0  0            999 V2000
    8.4549   -9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404   -9.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7404  -10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4549  -11.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1694  -10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1694   -9.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838   -9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838  -11.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983  -10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5983   -9.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3128   -9.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3128  -11.1348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272  -10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272   -9.8973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4549   -8.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4549  -11.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838   -8.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8838  -11.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3128   -8.6598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3128  -11.9598    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272   -8.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417   -8.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0272  -12.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7417  -11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4562   -8.2473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4562  -12.3723    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707   -8.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8851   -8.2473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1707  -11.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8851  -12.3723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5996   -8.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5996  -11.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7082   -9.7257    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.7082  -10.5641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  7  6  1  0  0  0  0
  6  5  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 10  1  0  0  0  0
 10  9  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 11 14  2  0  0  0  0
  1 15  1  0  0  0  0
  4 16  1  0  0  0  0
  7 17  2  0  0  0  0
  8 18  2  0  0  0  0
 11 19  1  0  0  0  0
 12 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 30 32  1  0  0  0  0
M  END
> <ID>
CHEBI:50727

> <NAME>
mitoxantrone dihydrochloride

> <STAR>
3

> <SYNONYM>
Mitoxantrone hydrochloride

> <IUPAC_NAME>
1,4-dihydroxy-5,8-bis({2-[(2-hydroxyethyl)amino]ethyl}amino)anthracene-9,10-dione dihydrochloride

> <BRAND_NAME>
Novantrone; Novantron

> <FORMULA>
C22H28N4O6.2HCl; C22H28N4O6.2ClH; C22H30Cl2N4O6

> <MASS>
517.40236

> <MONOISOTOPIC_MASS>
516.15424

> <CHARGE>
0

> <SMILES>
Cl.Cl.OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12

> <INCHI>
InChI=1S/C22H28N4O6.2ClH/c27-11-9-23-5-7-25-13-1-2-14(26-8-6-24-10-12-28)18-17(13)21(31)19-15(29)3-4-16(30)20(19)22(18)32;;/h1-4,23-30H,5-12H2;2*1H

> <INCHIKEY>
ZAHQPTJLOCWVPG-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4835931

> <CAS_REGISTRY_NUMBER>
70476-82-3

> <CHEMIDPLUS>
70476-82-3

> <DRUGBANK_ACCESSION>
DB01204

> <KEGG_DRUG_ACCESSION>
D02166

$$$$