N-(2-{[5,8-Dihydroxy-4-({2-[(2-Hydroxyethyl)Amino]Ethyl}Amino)-9,10-Dioxo-9,10-Dihydro-1-Anthracenyl]Amino}Ethyl)Glycine

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Properties Simple | Detailed

Formula C22H26N4O7
IUPAC Name 2-[2-[[5,8-dihydroxy-4-[2-(2-oxidoethylamino)ethylamino]-9,10-dioxo-1-anthryl]amino]ethylamino]acetate
Molecular Mass 458.464 g·mol−1
Heat of Formation -182.5 ± 16.7 kJ·mol−1
Dipole Moment 37.85 ± 1.08 D
Volume 512.81 Å 3
Surface Area 455.1 Å 2
HOMO Energy -6.83 ± 0.55 eV
LUMO Energy -5.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-diketo-1-anthryl]amino]ethylamino]acetic acid
  • 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxo-anthracen-1-yl]amino]ethylamino]ethanoic acid
  • 2-[2-[[5,8-dihydroxy-4-[2-(2-hydroxyethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid
  • cl-285049
  • mitoxantrone carboxylic acid
CAS Number(s)
  • 97729-56-1
InChIKey ATIAHAUGEJHHNT-UHFFFAOYSA-N
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