Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-

CAS Registry Number®

67174-25-8
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CAS Name

Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-

Molecular Formula

C27H31N2O2.Cl

Cite this Page

Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=67174-25-8 (retrieved 2024-04-29) (CAS RN: 67174-25-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H31N2O2.ClH/c1-3-20-18-29(17-19-7-5-4-6-8-19)14-12-21(20)15-26(29)27(30)23-11-13-28-25-10-9-22(31-2)16-24(23)25;/h3-11,13,16,20-21,26-27,30H,1,12,14-15,17-18H2,2H3;1H/q+1;/p-1/t20-,21-,26-,27+,29+;/m0./s1

InChIKey

InChIKey=JYDIJFKNXHPWBJ-GOGFHWEMSA-M

SMILES

C([N@@+]12[C@]([C@H](O)C=3C4=C(C=CC(OC)=C4)N=CC3)(C[C@@]([C@@H](C=C)C1)(CC2)[H])[H])C5=CC=CC=C5.[Cl-]

Canonical SMILES

[Cl-].OC(C=1C=CN=C2C=CC(OC)=CC21)C3CC4CC[N+]3(CC=5C=CC=CC5)CC4C=C

Other Names for this Substance

  • Cinchonanium, 9-hydroxy-6′-methoxy-1-(phenylmethyl)-, chloride, (8α,9R)-
  • 1-Benzylquininium chloride
  • N-Benzylquininium chloride
  • Quibec
  • (-)-N-Benzylquininium chloride

Deleted or Replaced CAS Registry Numbers

67381-78-6

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