Quinine sulfate dihydrate

CAS Registry Number®

6119-70-6
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CAS Name

Quinine sulfate dihydrate

Molecular Formula

C20H24N2O2.1/2H2O4S.2H2O

Cite this Page

Quinine sulfate dihydrate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6119-70-6 (retrieved 2024-07-16) (CAS RN: 6119-70-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=ZYCWGZVLCXRARB-HZQSTTLBSA-N

SMILES

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].O

Canonical SMILES

O=S(=O)(O)O.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-, (8α,9R)-, sulfate, hydrate (2:1:4)
  • Quinine, sulfate (2:1), dihydrate
  • Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, sulfate (2:1) (salt), dihydrate
  • Quinine sulfate dihydrate

Deleted or Replaced CAS Registry Numbers

60411-27-0