Ezetimibe glucuronide

CAS Registry Number®

190448-57-8

CAS Name

Ezetimibe glucuronide

Molecular Formula

C30H29F2NO9

Molecular Mass

585.55

Cite this Page

Ezetimibe glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=190448-57-8 (retrieved 2024-11-22) (CAS RN: 190448-57-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C30H29F2NO9/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/h1-12,21-27,30,34-37H,13-14H2,(H,39,40)/t21-,22+,23-,24+,25+,26-,27+,30-/m1/s1

InChIKey

InChIKey=UOFYCFMTERCNEW-ADEYADIWSA-N

SMILES

C(C[C@H](O)C1=CC=C(F)C=C1)[C@@H]2[C@H](N(C2=O)C3=CC=C(F)C=C3)C4=CC=C(O[C@@H]5O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]5O)C=C4

Canonical SMILES

O=C(O)C1OC(OC2=CC=C(C=C2)C3N(C(=O)C3CCC(O)C4=CC=C(F)C=C4)C5=CC=C(F)C=C5)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[(2S,3R)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenyl
  • 4-[(2S,3R)-1-(4-Fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-oxo-2-azetidinyl]phenyl β-D-glucopyranosiduronic acid
  • Sch 58235 glucuronide
  • Sch 60663
  • Ezetimibe glucuronide

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