Tolrestat

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Properties Simple | Detailed

Formula C16H14F3NO3S
IUPAC Name 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid
Molecular Mass 357.347 g·mol−1
Heat of Formation -955.8 ± 16.7 kJ·mol−1
Dipole Moment 5.85 ± 1.08 D
Volume 381.85 Å 3
Surface Area 322.81 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbothioyl-methyl-amino]ethanoic acid
  • 2-[[6-methoxy-5-(trifluoromethyl)naphthalene-1-carbothioyl]-methyl-amino]acetic acid
  • 2-[[[6-methoxy-5-(trifluoromethyl)-1-naphthyl]-thioxomethyl]-methylamino]acetic acid
  • alredase
  • alrestin
  • ay-27773
  • d02323
  • glycine, n-((6-methoxy-5-(trifluoromethyl)-1-naphthalenyl)thioxomethyl)-n-methyl-
  • glycine, n-[[6-methoxy-5-(trifluoromethyl)-1-naphthalenyl]thioxomethyl]-n-methyl-
  • lorestat
  • n-(6-methoxythio-5-(trifluoromethyl)-1-naphthoyl)sarcosine
  • tol
  • tolrestat (usan)
  • tolrestatin
  • tolrestatum [latin]
CAS Number(s)
  • 82964-04-3
InChIKey LUBHDINQXIHVLS-UHFFFAOYSA-N
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