({3-[(2R)-2-{[(2R)-2-(3-Chlorophenyl)-2-Hydroxyethyl]Amino}Propyl]-1H-Indol-7-Yl}Oxy)Acetic Acid

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Formula C21H23ClN2O4
IUPAC Name 2-[[3-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1h-indol-7-yl]oxy]acetic acid
Molecular Mass 402.871 g·mol−1
Heat of Formation -577.7 ± 16.7 kJ·mol−1
Dipole Moment 2.86 ± 1.08 D
Volume 471.84 Å 3
Surface Area 346.49 Å 2
HOMO Energy -8.09 ± 0.55 eV
LUMO Energy -0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (3-((2r)-2-((2r)-2-(3-chlorophenyl)-2-hydroxyethylamino)propyl)-1h-indol-7-yloxy)acetic acid
  • 2-[[3-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1h-indol-7-yl]oxy]acetic acid
  • 2-[[3-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1h-indol-7-yl]oxy]ethanoic acid
  • 2-[[3-[(2r)-2-[[(2r)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1h-indol-7-yl]oxy]acetic acid
  • rafabegron
CAS Number(s)
  • 244081-42-3
InChIKey FHEYFIGWYQJVDR-ACJLOTCBSA-N
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Elements H C N O Cl