Apaziquone

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Properties Simple | Detailed

Formula C15H16N2O4
IUPAC Name 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-indol-1-ium-7a-ylium-4,7-dione
Molecular Mass 288.299 g·mol−1
Heat of Formation -284.6 ± 16.7 kJ·mol−1
Dipole Moment 1.83 ± 1.08 D
Volume 335.82 Å 3
Surface Area 302.53 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-5-(1-azirinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-1h-indole-4,7-dione
  • 1h-indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-((1e)-3-hydroxy-1-propenyl)-1-methyl-
  • 1h-indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-
  • 1h-indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxy-1-propenyl)-1-methyl-, (e)-
  • 5-(1-aziridinyl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
  • 5-(1-aziridinyl)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
  • 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methyl-indole-4,7-dione
  • 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methylindole-4,7-dione
  • 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-indole-4,7-dione
  • 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(e)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
  • 5-(azridin-1-yl)-3-(hydroxymethyl)-2-((1e)-3-hydroxyprop-1-enyl)-methyl-1h-indole-4,7-dione
  • 5-ethylenimino-2-(3-hydroxyprop-1-enyl)-1-methyl-3-methylol-indole-4,7-quinone
  • 5-ethylenimino-2-[(e)-3-hydroxyprop-1-enyl]-1-methyl-3-methylol-indole-4,7-quinone
  • antineoplastic-382459
  • apaziquone (usan/inn)
  • apaziquonum
  • d02965
  • e 09
  • e-85/050
  • e-85/053
  • eo 9 (pharmaceutical)
  • eo9
  • eoquin
  • neoquin
  • nor-701
CAS Number(s)
  • 114560-48-4
InChIKey MXPOCMVWFLDDLZ-NSCUHMNNSA-N
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