Mitoxantrone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 455
Total Number of Articles : 824
PubChem 4212
Molecular Formula

C22H28N4O6

SMILES

C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO

InChI

InChI=1S/C22H28N4O6/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

synonyms
  • mitoxantrone
  • 65271-80-9
  • Mitozantrone
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Properties
Property Value
MW 444.5 g/mol
HBD 8
HBA 10
Rotatable Bond Count 12
Exact Mass 444.20088463 g/mol
Monoisotopic Mass 444.20088463 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 571
xlogp 1
Topological Polar Surface Area 163