Apoquinine

CAS Registry Number®

5985-94-4

CAS Name

Apoquinine

Molecular Formula

C19H22N2O2

Molecular Mass

310.39

Cite this Page

Apoquinine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5985-94-4 (retrieved 2025-05-18) (CAS RN: 5985-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,13,18-19,22-23H,6,8-9,11H2,1H3/b12-2+/t13-,18-,19+/m0/s1

InChIKey

InChIKey=VBKQRUUVDAWDIP-JPRQZJFESA-N

SMILES

[C@H](O)([C@]1([N@@]2C/C(=C\C)/[C@](C1)(CC2)[H])[H])C=3C4=C(N=CC3)C=CC(O)=C4

Canonical SMILES

OC=1C=CC2=NC=CC(=C2C1)C(O)C3N4CC(=CC)C(CC4)C3

Other Names for this Substance

  • Cinchonan-6′,9-diol, 3,10-didehydro-10,11-dihydro-, (3Z,8α,9R)-
  • Apoquinine
  • (3Z,8α,9R)-3,10-Didehydro-10,11-dihydrocinchonan-6′,9-diol
  • β-Isocupreine
  • Apocupreine

Deleted or Replaced CAS Registry Numbers

11010-33-6, 14645-30-8

CAS INSIGHTSTM
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