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Substance Name: Quinine gluconate
RN: 4325-25-1
InChIKey: XHKUDCCTVQUHJQ-BILMMMPYSA-N

Molecular Formula

  • C20-H24-N2-O2.C6-H12-O7

Molecular Weight

  • 520.5754
 
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Names and Synonyms

Name of Substance

  • Quinine gluconate

Synonym

  • EINECS 224-358-4

Systematic Name

  • D-Gluconic acid, compound with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1)

Registry Numbers

CAS Registry Number

  • 4325-25-1

System Generated Number

  • 0004325251

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.C6-H12-O7

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C6-H12-O7
  • COMPONENT

Structure Descriptors

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

XHKUDCCTVQUHJQ-BILMMMPYSA-N

Smiles

COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O