Heptylstigmine

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Properties Simple | Detailed

Formula C21H33N3O2
IUPAC Name [(3s,3ar,4s,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] n-heptylcarbamate
Molecular Mass 359.506 g·mol−1
Heat of Formation -387.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 471.56 Å 3
Surface Area 416.84 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-heptylphysostigmine
  • [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] n-heptylcarbamate
  • carbamic acid, heptyl-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3as-cis)-
  • eptastigmine
  • n-demethyl-n-heptylphysostigmine
  • n-heptylcarbamic acid [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] ester
  • physostigmine heptyl
CAS Number(s)
  • 101246-68-8
InChIKey RRGMXBQMCUKRLH-CTNGQTDRSA-N
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