(4β,8Alpha,9R)-6'-Methoxy-10,11-Dihydrocinchonan-3,9-Diol

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Properties Simple | Detailed

Formula C20H26N2O3
IUPAC Name (1r,3s,4r,6s)-3-ethyl-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-ol
Molecular Mass 342.432 g·mol−1
Heat of Formation -382.6 ± 16.7 kJ·mol−1
Dipole Moment 3.19 ± 1.08 D
Volume 417.34 Å 3
Surface Area 346.77 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,4r,6s)-3-ethyl-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]-3-quinuclidinol
  • (3s,4r,6s)-3-ethyl-6-[(r)-hydroxy-(6-methoxy-4-quinolyl)methyl]quinuclidin-3-ol
  • (4r,5s,7s)-5-ethyl-7-[(r)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol
  • 3-hydroxydihydroquinine
  • cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, (8alpha,9r)-
CAS Number(s)
  • 78523-30-5
InChIKey QJYVSAYVZYKUJL-ZNYHDOEXSA-N
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