Ecadotril

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Properties Simple | Detailed

Formula C21H23NO4S
IUPAC Name benzyl 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
Molecular Mass 385.477 g·mol−1
Heat of Formation -572.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 463.71 Å 3
Surface Area 364.46 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-acetophan
  • (s)-n-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester
  • 2-[[(2s)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid phenylmethyl ester
  • 2-[[(2s)-2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid benzyl ester
  • bay-y 7432
  • bp 1.02
  • d03929
  • ecadotril (usan)
  • glycine, n-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (s)-
  • n-((s)-alpha-(mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester)
  • n-(2-acetylthiomethyl-1-oxo-3-phenylpropyl)glycine (s)(-)benzyl ester
  • phenylmethyl 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate
  • phenylmethyl 2-[[(2s)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
  • phenylmethyl 2-[[(2s)-2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate
  • s 049
  • sinorphan
CAS Number(s)
  • 112573-73-6
InChIKey ODUOJXZPIYUATO-LJQANCHMSA-N
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