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Substance Name: Ezetimibe ketone glucuronide
RN: 861404-71-9
UNII: QXG49H7QMG
InChIKey: YLCUCLKTGSVDDA-QUIDQPAHSA-N

Molecular Formula

  • C30-H27-F2-N-O9

Molecular Weight

  • 583.5335
 
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Names and Synonyms

Name of Substance

  • Ezetimibe ketone glucuronide

Synonyms

  • beta-D-Glucopyranosiduronic acid, 4-((2S,3R)-1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-oxopropyl)-4-oxo-2-azetidinyl)phenyl
  • Ezetimibe ketone glucuronide
  • SCH-57871 glucuronide
  • UNII-QXG49H7QMG

Registry Numbers

CAS Registry Number

  • 861404-71-9

FDA UNII

  • QXG49H7QMG

System Generated Number

  • 0861404719

Structure Descriptors

InChI

1S/C30H27F2NO9/c31-17-5-1-15(2-6-17)22(34)14-13-21-23(33(28(21)38)19-9-7-18(32)8-10-19)16-3-11-20(12-4-16)41-30-26(37)24(35)25(36)27(42-30)29(39)40/h1-12,21,23-27,30,35-37H,13-14H2,(H,39,40)/t21-,23-,24+,25+,26-,27+,30-/m1/s1

InChIKey

YLCUCLKTGSVDDA-QUIDQPAHSA-N

Smiles

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(cc2)[C@@H]3[C@@H](CCC(=O)c4ccc(F)cc4)C(=O)N3c5ccc(F)cc5)O[C@@H]([C@H]1O)C(=O)O