70519920
  -OEChem-04242420462D

 64 64  0     0  0  0  0  0  0999 V2000
    5.7331    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    2.5306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    9.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    5.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    9.4466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4534    5.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4960   13.9763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9280    8.4562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9502    9.4466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7319    8.4362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   11.4665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3319    7.9462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    7.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    8.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0678    6.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    7.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    8.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3358    6.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    6.4120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9617    6.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    6.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8104    9.9566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5998    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   10.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    8.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4418    6.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4639    8.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    7.9328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5357    6.8912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6474   12.4664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960    8.4495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5076   12.9764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0639    7.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4097    9.7504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9546    5.7574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4035    6.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0291    9.3765    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4197   10.0713    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7295    9.0562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2032    7.4630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0002    7.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5800   11.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895   10.8418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8606    8.9193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0636    8.9162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.2449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1995   11.1627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3343    7.3262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286   13.0465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0381   12.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5927    8.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7956    8.9229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    9.7628    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    5.0612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   12.3963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1169   13.0911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6672    7.4764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4643    7.4794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0294   14.2925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4661    8.1483    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7331    2.5306    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 63  1  0  0  0  0
  2 64  1  0  0  0  0
  3 18  2  0  0  0  0
  4 20  2  0  0  0  0
  5 26  1  0  0  0  0
  5 55  1  0  0  0  0
  6 27  1  0  0  0  0
  6 56  1  0  0  0  0
  7 33  1  0  0  0  0
  7 61  1  0  0  0  0
  8 34  1  0  0  0  0
  8 62  1  0  0  0  0
  9 14  1  0  0  0  0
  9 23  1  0  0  0  0
  9 35  1  0  0  0  0
 10 16  1  0  0  0  0
 10 24  1  0  0  0  0
 10 40  1  0  0  0  0
 11 25  1  0  0  0  0
 11 31  1  0  0  0  0
 11 49  1  0  0  0  0
 12 28  1  0  0  0  0
 12 32  1  0  0  0  0
 12 50  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 18  1  0  0  0  0
 14 16  2  0  0  0  0
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 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 26  2  0  0  0  0
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 19 27  2  0  0  0  0
 21 22  2  0  0  0  0
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 22 37  1  0  0  0  0
 23 25  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 24 28  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  2  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 34  1  0  0  0  0
 32 53  1  0  0  0  0
 32 54  1  0  0  0  0
 33 57  1  0  0  0  0
 33 58  1  0  0  0  0
 34 59  1  0  0  0  0
 34 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70519920

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
623

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
10

> <PUBCHEM_CACTVS_HBOND_DONOR>
10

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
12

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAGAAAAAAAAAAAAAAAAAAAAAAAwYMAAAAAAAADBQAAAHgAQCAAADAzhmAYwxoLAAgCIAqRSQACCAAAlIgAIiIEOfMgKdj7ClJOUcchk8BHY2cff2fOeiQABQAAaACCSAAaAADQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5,8-dihydroxy-1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
5,8-dihydroxy-1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
5,8-dihydroxy-1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride

> <PUBCHEM_IUPAC_NAME>
5,8-dihydroxy-1,2-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione;dihydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1,2-bis[2-(2-hydroxyethylamino)ethylamino]-5,8-bis(oxidanyl)anthracene-9,10-dione;dihydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5,8-dihydroxy-1,2-bis[2-(2-hydroxyethylamino)ethylamino]-9,10-anthraquinone;dihydrochloride

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

> <PUBCHEM_IUPAC_INCHIKEY>
JVEHAEBVOHPZIU-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
516.1542401

> <PUBCHEM_MOLECULAR_FORMULA>
C22H30Cl2N4O6

> <PUBCHEM_MOLECULAR_WEIGHT>
517.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO)NCCNCCO.Cl.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO)NCCNCCO.Cl.Cl

> <PUBCHEM_CACTVS_TPSA>
163

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
516.1542401

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
3

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  14  8
13  15  8
14  16  8
15  21  8
16  22  8
17  19  8
17  26  8
19  27  8
21  22  8
26  29  8
27  30  8
29  30  8

$$$$