Diclofenac glucuronide

CAS Registry Number®

64118-81-6

CAS Name

Diclofenac glucuronide

Molecular Formula

C20H19Cl2NO8

Molecular Mass

472.27

Cite this Page

Diclofenac glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64118-81-6 (retrieved 2024-11-22) (CAS RN: 64118-81-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H19Cl2NO8/c21-10-5-3-6-11(22)14(10)23-12-7-2-1-4-9(12)8-13(24)30-20-17(27)15(25)16(26)18(31-20)19(28)29/h1-7,15-18,20,23,25-27H,8H2,(H,28,29)/t15-,16-,17+,18-,20+/m0/s1

InChIKey

InChIKey=JXIKYYSIYCILNG-HBWRTXEVSA-N

SMILES

N(C1=C(CC(O[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O)=O)C=CC=C1)C3=C(Cl)C=CC=C3Cl

Canonical SMILES

O=C(O)C1OC(OC(=O)CC=2C=CC=CC2NC=3C(Cl)=CC=CC3Cl)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-[2-[(2,6-dichlorophenyl)amino]benzeneacetate]
  • Diclofenac glucuronide
  • Diclofenac-β-D-glucuronide

Deleted or Replaced CAS Registry Numbers

331252-61-0

CAS INSIGHTSTM
Hourglass and a clock