Epalrestat

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Properties Simple | Detailed

Formula C15H13NO3S2
IUPAC Name 2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
Molecular Mass 319.399 g·mol−1
Heat of Formation -235.7 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 364.9 Å 3
Surface Area 320.44 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(5e)-4-keto-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanoic acid
  • 2-[(5e)-5-[(e)-2-methyl-3-phenyl-prop-2-enylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]acetic acid
  • 2-[(5e)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
  • 2-[(5e)-5-[(e)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-thioxo-3-thiazolidinyl]acetic acid
InChIKey CHNUOJQWGUIOLD-SMTGYRLFSA-N
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