Cinchonan-9-ol, 6′-methoxy-, hydrobromide, hydrate (1:1:1), (8α,9R)-

CAS Registry Number®

6119-46-6

CAS Name

Cinchonan-9-ol, 6′-methoxy-, hydrobromide, hydrate (1:1:1), (8α,9R)-

Molecular Formula

C20H24N2O2.BrH.H2O

Cite this Page

Cinchonan-9-ol, 6′-methoxy-, hydrobromide, hydrate (1:1:1), (8α,9R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6119-46-6 (retrieved 2025-02-05) (CAS RN: 6119-46-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.BrH.H2O/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;1H;1H2/t13-,14-,19-,20+;;/m0../s1

InChIKey

InChIKey=NBPJYPNFAKCWDZ-HZQSTTLBSA-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].Br.O

Canonical SMILES

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

Other Names for this Substance

  • Cinchonan-9-ol, 6′-methoxy-, hydrobromide, hydrate (1:1:1), (8α,9R)-
  • Quinine, monohydrobromide, monohydrate
  • Cinchonan-9-ol, 6′-methoxy-, monohydrobromide, monohydrate, (8α,9R)-