5-[(3-Aminopropyl)Amino]-6-Hydroxy-2-{2-[(2-Hydroxyethyl)Amino]Ethyl}-1,2-Dihydrodibenzo[Cd,G]Indazole-7,10-Dione

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Properties Simple | Detailed

Formula C21H25N5O4
IUPAC Name 5-[(3-aminopropyl)amino]-6-hydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}-1,2-dihydrodibenzo[cd,g]indazole-7,10-dione
Molecular Mass 411.454 g·mol−1
Heat of Formation -297.0 ± 16.7 kJ·mol−1
Dipole Moment 5.47 ± 1.08 D
Volume 474.51 Å 3
Surface Area 424.54 Å 2
HOMO Energy -7.72 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(3-aminopropyl)amino]-7,10-dihydroxy-2-{2-[(2-hydroxyethyl)amino]ethyl}dibenzo[cd,g]indazol-6(2h)-one
  • anthra(1,9-cd)pyrazol-6(2h)-one, 5-((3-aminopropyl)amino)-7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-
  • dup-942
  • neuro_000181
  • oxantrazole
  • piroxantrone
CAS Number(s)
  • 91441-23-5
InChIKey KDRKQBMPDQDAJW-UHFFFAOYSA-N
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