(3As,8Ar)-1,2,3,3A,8,8A-Hexahydro-1,3A,8-Trimethylpyrrolo(2,3-B)Indol-5-Yl 3,4-Dihydro-2(1H)-Isoquinolinecarboxylate

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Properties Simple | Detailed

Formula C23H27N3O2
IUPAC Name [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1h-isoquinoline-2-carboxylate
Molecular Mass 377.479 g·mol−1
Heat of Formation -145.0 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 465.15 Å 3
Surface Area 395.47 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-isoquinolinecarboxylic acid, 3,4-dihydro-, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethylpyrrolo(2,3-b)indol-5-yl ester, (3as-cis)-
  • 3,4-dihydro-1h-isoquinoline-2-carboxylic acid [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] ester
  • [(3ar,8bs)-3,4,8b-trimethyl-2,3a-dihydro-1h-pyrrolo[2,3-b]indol-7-yl] 3,4-dihydro-1h-isoquinoline-2-carboxylate
  • d03823
  • hp 290
  • nxx 066
  • quilostigmine
  • quilostigmine (usan)
CAS Number(s)
  • 139314-01-5
InChIKey IIFRKALDATVOJE-GGAORHGYSA-N
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