Indomethacin Acyl-β-D-glucuronide

CAS: 75523-11-4

Ref. TR-I641010

Product Information

• Name: Indomethacin Acyl-β-D-glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Description

Applications Indomethacin Acyl-β-D-glucuronide is a metabolite of Indomethacin (I641000). Acyl glucuronides have been implicated in the toxicity of many xenobiotics and marketed drugs.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Abid, A., et al.: Biochem. Pharmacol., 50, 557 (1995), Gamage, N., et al.: Toxicol. Sci., 90, 5 (2006), Cerveny, L., et al.: Drug Metab. Dispos., 35, 1032 (2007), Hayeshi, R., et al.: Eur. J. Pharm. Sci., 35, 383 (2008),

• Brand: TRC

Chemical properties

• Molecular weight: 533.91
• Formula: C₂₅H₂₄ClNO₁₀
• Color/Form: Neat
• InChI: InChI=1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34)/t19-,20-,21+,22-,25+/m0/s1
• InChI key: InChIKey=QCBWEVBGELGABM-CZLVRFMKSA-N
• SMILES: COc1ccc2c(c1)c(CC(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1