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Substance Name: Quinine glucuronide
RN: 47773-68-2
UNII: 354N1CG787
InChIKey: ZAHHPDWPTDJTJI-HXLALOIQSA-N

Molecular Formula

  • C26-H32-N2-O8

Molecular Weight

  • 500.5448
 
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Names and Synonyms

Name of Substance

  • Quinine glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, (8alpha,9R)-6'-methoxycinchonan-9-yl
  • Quinine glucuronide
  • UNII-354N1CG787

Registry Numbers

CAS Registry Number

  • 47773-68-2

FDA UNII

  • 354N1CG787

System Generated Number

  • 0047773682

Structure Descriptors

InChI

1S/C26H32N2O8/c1-3-13-12-28-9-7-14(13)10-19(28)23(16-6-8-27-18-5-4-15(34-2)11-17(16)18)35-26-22(31)20(29)21(30)24(36-26)25(32)33/h3-6,8,11,13-14,19-24,26,29-31H,1,7,9-10,12H2,2H3,(H,32,33)/t13-,14-,19-,20-,21-,22+,23+,24-,26+/m0/s1

InChIKey

ZAHHPDWPTDJTJI-HXLALOIQSA-N

Smiles

COc1ccc2nccc([C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)[C@@H]4C[C@@H]5CCN4C[C@@H]5C=C)c2c1