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Lumiracoxib Acyl-Beta-D-glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS697287175
CAS697287-17-5
Structure
IUPAC Name(2S,3S,4S,5R,6S)-6-[2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular Weight469.84
Molecular FormulaC21H21ClFNO8
Canonical SMILESCc1ccc(Nc2c(F)cccc2Cl)c(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1
InChIInChI=1S/C21H21ClFNO8/c1-9-5-6-13(24-15-11(22)3-2-4-12(15)23)10(7-9)8-14(25)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-7,16-19,21,24,26-28H,8H2,1H3,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
Accurate Mass469.094
FormatNeat
SubcategoryNon-steroidal anti-inflammatory drugs (NSAIDs)
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CATSizeShippingStorage ConditionsDescription
APS697287175-10MG 10MG Dry ice -20°C Freezer Product Type: Impurity Inquiry
APS697287175-1MG 1MG Blue Ice -20°C Freezer Product Type: Metabolite Inquiry
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