(9S)-6'-Methoxy-10,11-Dihydrocinchonan-3,9-Diol

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Properties Simple | Detailed

Formula C20H26N2O3
IUPAC Name (1s,3s,4s,6r)-3-ethyl-6-[(s)-hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-ol
Molecular Mass 342.432 g·mol−1
Heat of Formation -391.9 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 417.38 Å 3
Surface Area 339.28 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4s,6r)-3-ethyl-6-[(s)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-quinuclidinol
  • (3s,4s,6r)-3-ethyl-6-[(s)-hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-ol
  • (4s,5s,7r)-5-ethyl-7-[(s)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
  • 3-hydroxyhydroquinidine
  • cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (9s)-
CAS Number(s)
  • 85405-59-0
InChIKey QJYVSAYVZYKUJL-LGWHJFRWSA-N
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