2,2'-[(5,8-Dihydroxy-9,10-Dioxo-9,10-Dihydroanthracene-1,4-Diyl)Bis(Imino-2,1-Ethanediylimino)]Diacetic Acid

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Properties Simple | Detailed

Formula C22H24N4O8
IUPAC Name 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxo-1-anthryl]amino]ethylamino]acetic acid
Molecular Mass 472.448 g·mol−1
Heat of Formation -1187.9 ± 16.7 kJ·mol−1
Dipole Moment 0.92 ± 1.08 D
Volume 521.67 Å 3
Surface Area 468.22 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-diketo-1-anthryl]amino]ethylamino]acetic acid
  • 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxo-anthracen-1-yl]amino]ethylamino]ethanoic acid
  • 2-[2-[[4-[2-(carboxymethylamino)ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethylamino]acetic acid
  • cl 283981
  • cl-283981
  • glycine, n,n'-((9,10-dihydro-5,8-dihydroxy-9,10-dioxo-1,4-anthracenediyl)bis(imino-2,1-ethanediyl))bis-
  • mitoxantrone dicarboxylic acid
CAS Number(s)
  • 97729-57-2
InChIKey DDEBCPLFRUBTMM-UHFFFAOYSA-N
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