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Product Code
TRC-I641010
CAS Number
Product Format
Neat
Molecular Formula
C25 H24 Cl N O10
Molecular Weight
533.91
API Family
IndomethacinProduct Categories
Product Type
MetabolitePurity
>95% (HPLC)
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Analyte Name
Indomethacin Acyl-beta-D-glucuronide
CAS Number
75523-11-4
Molecular Formula
C25 H24 Cl N O10
Molecular Weight
533.91
Accurate Mass
533.1089
SMILES
COc1ccc2c(c1)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c(C)n2C(=O)c4ccc(Cl)cc4
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
IUPAC
(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
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
Indomethacin Acyl-?-D-glucuronide is a metabolite of Indomethacin (I641000). Acyl glucuronides have been implicated in the toxicity of many xenobiotics and marketed drugs.
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),
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