Quinine gluconate

CAS Registry Number®

4325-25-1

CAS Name

Quinine gluconate

Molecular Formula

C20H24N2O2.C6H12O7

Cite this Page

Quinine gluconate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=4325-25-1 (retrieved 2024-11-22) (CAS RN: 4325-25-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H24N2O2.C6H12O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2-5,7-11H,1H2,(H,12,13)/t13-,14-,19-,20+;2-,3-,4+,5-/m01/s1

InChIKey

InChIKey=XHKUDCCTVQUHJQ-BILMMMPYSA-N

SMILES

[C@H]([C@@H]([C@@H](CO)O)O)([C@H](C(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=C(O)C(O)C(O)C(O)C(O)CO.OC(C=1C=CN=C2C=CC(OC)=CC21)C3N4CCC(C3)C(C=C)C4

Other Names for this Substance

  • D-Gluconic acid, compd. with (8α,9R)-6′-methoxycinchonan-9-ol (1:1)
  • Gluconic acid, compd. with quinine (1:1)
  • Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, mono-D-gluconate (salt)
  • Quinine gluconate

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