Bexarotene

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Properties Simple | Detailed

Formula C24H28O2
IUPAC Name 4-[1-(1,1,4,4,7-pentamethyltetralin-6-yl)vinyl]benzoic acid
Molecular Mass 348.478 g·mol−1
Heat of Formation -340.6 ± 16.7 kJ·mol−1
Dipole Moment 3.21 ± 1.08 D
Volume 456.76 Å 3
Surface Area 373.65 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)benzoic acid
  • 4-[1-(1,1,4,4,7-pentamethyl-6-tetralinyl)vinyl]benzoic acid
  • 4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
  • benzoic acid, 4-(1-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)ethenyl)-
  • bexarotene (usan)
  • d03106
  • lg 1069
  • lg100069
  • lgd 1069
  • ls-38306
  • targretin
  • targretyn
  • targrexin
CAS Number(s)
  • 153559-49-0
InChIKey NAVMQTYZDKMPEU-UHFFFAOYSA-N
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