Diclofenac Acyl-beta-D-glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS64118816
CAS64118-81-6
Structure
Synonymsβ-D-Glucopyranuronic acid, 1-[2-[(2,6-dichlorophenyl)amino]benzeneacetate], Diclofenac glucuronide, Diclofenac-β-D-glucuronide
IUPAC Name(2S,3S,4S,5R,6S)-6-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight472.27
Molecular FormulaC20H19Cl2NO8
Canonical SMILESO[C@@H]1[C@@H](O)[C@H](OC(=O)Cc2ccccc2Nc3c(Cl)cccc3Cl)O[C@@H]([C@H]1O)C(=O)O
InChIInChI=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
Accurate Mass471.0488
FormatNeat
SubcategoryEnzyme inhibitors, Pharmaceutical
  • Verification code
CATSizeShippingStorage ConditionsDescription
APS64118816-10MG 10MG Room Temperature +4°C Product Type: Metabolite Inquiry
APS64118816-2MG 2MG Room Temperature -20°C Inquiry
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