Oxypertine

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Properties Simple | Detailed

Formula C23H29N3O2
IUPAC Name 5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]indol-1-ium-2-ylium
Molecular Mass 379.495 g·mol−1
Heat of Formation -43.6 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 477.35 Å 3
Surface Area 417.21 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole, 5,6-dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-
  • 1h-indole, 5,6-dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-
  • 5,6-dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)indole
  • 5,6-dimethoxy-2-methyl-3-[2-(4-phenyl-1-piperazinyl)ethyl]-1h-indole
  • 5,6-dimethoxy-2-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-1h-indole
  • d01219
  • do 180
  • equipertine
  • forit
  • indole, 5,6-dimethoxy-2-methyl-3-(2-(4-phenyl-1-piperazinyl)ethyl)-
  • integrin
  • opertil
  • oxipertinum
  • oxypertine (jan/usan)
CAS Number(s)
  • 153-87-7
InChIKey XCWPUUGSGHNIDZ-UHFFFAOYSA-N
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