Diacerein

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Properties Simple | Detailed

Formula C19H12O8
IUPAC Name 4,5-diacetoxy-9,10-dioxo-anthracene-2-carboxylic acid
Molecular Mass 368.294 g·mol−1
Heat of Formation -1142.5 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 387.03 Å 3
Surface Area 330.95 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1,8-diacetoxy-3-carboxyanthraquinone
  • 1,8-diacetoxyanthraquinone-3-carboxylic acid
  • 2-anthracenecarboxylic acid, 4,5-bis(acetyloxy)-9,10-dihydro-9,10-dioxo- (9ci)
  • 2-anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-, diacetate
  • 4,5-diacetoxy-9,10-dihydro-9,10-dioxo-2-anthrylcarbonsaeure
  • 4,5-diacetoxy-9,10-diketo-anthracene-2-carboxylic acid
  • 4,5-diacetoxy-9,10-dioxo-2-anthracenecarboxylic acid
  • 4,5-diacetyloxy-9,10-dioxo-anthracene-2-carboxylic acid
  • 4,5-diacetyloxy-9,10-dioxoanthracene-2-carboxylic acid
  • 4,5-diacetylrhein
  • 9,10-dihydro-4,5-diacetoxy-9,10-2-anthracenecarboxylic acid
  • 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid diacetate
  • 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid, diacetate
  • artrodar
  • bb_sc-5077
  • diacereina [spanish]
  • diacereinum [latin]
  • diacerhein
  • diacetylrhein
  • fisiodar
  • kw-4800
  • rhein, diacetate (6ci)
  • sf-277
CAS Number(s)
  • 13739-02-1
InChIKey TYNLGDBUJLVSMA-UHFFFAOYSA-N
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