N-{[(2S)-1-Ethyl-2-Pyrrolidinyl]Methyl}-2-Hydroxy-3-Iodo-6-Methoxybenzamide

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Properties Simple | Detailed

Formula C15H21IN2O3
IUPAC Name 2-[[(1r,2s)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxy-phenolate
Molecular Mass 404.243 g·mol−1
Heat of Formation -381.7 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 390.69 Å 3
Surface Area 335.71 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-n-(1-ethyl-2-pyrrolidinyl)methyl-2-hydroxy-3-iodo-6-methoxybenzamide
  • 3-iodo-2-hydroxy-6-methoxy-n-((1-ethyl-2-pyrrolidinyl)methyl)benzamide
  • benzamide, n-(((2s)-1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxy-
  • benzamide, n-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxy-, (s)-
  • iolopride (
  • n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
  • n-[[(2s)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
CAS Number(s)
  • 113716-48-6
  • 84226-06-2
InChIKey CANPFCFJURGKAX-JTQLQIEISA-N
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