Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, (hydrogen triiodide) sulfate (4:2:3)

CAS Registry Number®

7631-46-1

CAS Name

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, (hydrogen triiodide) sulfate (4:2:3)

Molecular Formula

C20H24N2O2.3/4H2O4S.1/2HI3

Cite this Page

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, (hydrogen triiodide) sulfate (4:2:3).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7631-46-1 (retrieved 2024-12-28) (CAS RN: 7631-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.HI3.H2O4S/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;1-3-2;1-5(2,3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3H;(H2,1,2,3,4)/t13-,14-,19-,20+;;/m0../s1

InChIKey

InChIKey=SUJWVUNJXGDXEI-HZQSTTLBSA-N

SMILES

[IH](I)I.S(=O)(=O)(O)O.[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

O=S(=O)(O)O.I[IH]I.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,9R)-, (hydrogen triiodide) sulfate (4:2:3)
  • Herapathite
  • Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, (hydrogen triiodide) sulfate (salt) (4:2:3)
  • Hydrogen triiodide, compd. with (8α,9R)-6′-methoxycinchonan-9-ol sulfate (salt) (2:4:3)
  • Quinine herapathite

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