Lumiracoxib Acyl-Beta-D-glucuronide
Product Code
TRC-L474710
CAS Number
Product Format
Neat
Molecular Formula
C21 H21 Cl F N O8
Molecular Weight
469.84
Product Categories
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
Lumiracoxib Acyl-beta-D-glucuronide
CAS Number
697287-17-5
Molecular Formula
C21 H21 Cl F N O8
Molecular Weight
469.84
Accurate Mass
469.094
SMILES
Cc1ccc(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
InChI
InChI=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
IUPAC
(2S,3S,4S,5R,6S)-6-[2-[2-(2-chloro-6-fluoroanilino)-5-methylphenyl]acetyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Product Data
Storage Temperature
-20°C
Shipping Temperature
Blue Ice
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat