Epiquinine

CAS Registry Number®

572-60-1

CAS Name

Epiquinine

Molecular Formula

C20H24N2O2

Molecular Mass

324.42

Cite this Page

Epiquinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=572-60-1 (retrieved 2024-11-22) (CAS RN: 572-60-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    <25 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20-/m0/s1

InChIKey

InChIKey=LOUPRKONTZGTKE-FEBSWUBLSA-N

SMILES

[C@H](O)(C=1C2=C(C=CC(OC)=C2)N=CC1)[C@]3([N@@]4C[C@H](C=C)[C@](C3)(CC4)[H])[H]

Canonical SMILES

OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance

  • Cinchonan-9-ol, 6′-methoxy-, (8α,9S)-
  • Epiquinine
  • (8α,9S)-6′-Methoxycinchonan-9-ol
  • 9-epi-Quinine
  • 9-Epiquinine

Deleted or Replaced CAS Registry Numbers

124963-28-6, 2244812-94-8, 2256072-88-3