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Substance Name: Quinine ascorbate [USAN]
RN: 146-40-7
UNII: KAU4V10S2I
InChIKey: CJHQUYQRCLIWSW-JPGAVJPLSA-N

Classification Code

  • Deterrent (Smoking)

Molecular Formula

  • C20-H24-N2-O2.2C6-H8-O6

Molecular Weight

  • 676.668
 
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Names and Synonyms

Name of Substance

  • Quinine ascorbate [USAN]

Synonyms

  • EINECS 205-671-5
  • L-Ascorbic acid, compound with quinine (2:1)
  • Quinine ascorbate
  • Quinine biascorbate
  • UNII-KAU4V10S2I

Systematic Names

  • L-Ascorbic acid, compound with (8alpha,9R)-6'-methoxycinchonan-9-ol (2:1)
  • Quinine diascorbate

Registry Numbers

CAS Registry Number

  • 146-40-7

FDA UNII

  • KAU4V10S2I

System Generated Number

  • 0000146407

Molecular Formulas

Molecular Formula

  • C20-H24-N2-O2.2C6-H8-O6

Molecular Formula Fragments

  • C20-H24-N2-O2
  • C6-H8-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2O2.2C6H8O6/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;2*7-1-2(8)5-3(9)4(10)6(11)12-5/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*2,5,7-10H,1H2/t13-,14-,19-,20+;2*2-,5+/m000/s1

InChIKey

CJHQUYQRCLIWSW-JPGAVJPLSA-N

Smiles

[C@H]1(C(=C(C(=O)O1)O)O)[C@@H](O)CO.[C@@H]12[C@H](CN([C@@H](C1)[C@@H](c1ccnc3c1cc(OC)cc3)O)CC2)C=C.[C@H]1(C(=C(C(=O)O1)O)O)[C@@H](O)CO