Asimadoline

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Properties Simple | Detailed

Formula C27H30N2O2
IUPAC Name n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-2,2-diphenyl-acetamide
Molecular Mass 414.539 g·mol−1
Heat of Formation -97.5 ± 16.7 kJ·mol−1
Dipole Moment 3.29 ± 1.08 D
Volume 522.15 Å 3
Surface Area 404.23 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 0.07 ± eV
Point Group Symmetry C1
Synonyms
  • benzeneacetamide, n-((1s)-2-((3s)-3-hydroxy-1-pyrrolidinyl)-1-phenylethyl)-n-methyl-alpha-phenyl-
  • benzeneacetamide, n-(2-(3-hydroxy-1-pyrrolidinyl)-1-phenylethyl)-n-methyl-alpha-phenyl-, (s-(r*,r*))-
  • emd 61753
  • n-((alpha s)-alpha-((3s)-3-hydroxy-1-pyrrolidinyl)methyl)benzyl)-n-methyl-2,2-diphenylacetamide
  • n-[(1s)-2-[(3s)-3-hydroxy-1-pyrrolidinyl]-1-phenylethyl]-n-methyl-2,2-di(phenyl)acetamide
  • n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-2,2-di(phenyl)acetamide
  • n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenyl-ethyl]-n-methyl-2,2-di(phenyl)ethanamide
  • n-[(1s)-2-[(3s)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-n-methyl-2,2-di(phenyl)acetamide
CAS Number(s)
  • 153205-46-0
InChIKey JHLHNYVMZCADTC-LOSJGSFVSA-N
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