Sulindac Sulfone Acyl-Beta-D-Glucuronide

• Synonyms:

  (Z)-1-[5-Fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-1H-indene-3-acetate] β-D-Glucopyranuronic Acid;

• Hazard Statement:

  Not a hazardous substance according to GHS.

• Smiles:

  CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O

• Molecular Formula:

  C26H25FO10S

• Molecular Weight:

  548.53

• InChI:

  InChI=1S/C26H25FO10S/c1-12-17(9-13-3-6-15(7-4-13)38(2,34)35)16-8-5-14(27)10-19(16)18(12)11-20(28)36-26-23(31)21(29)22(30)24(37-26)25(32)33/h3-10,21-24,26,29-31H,11H2,1-2H3,(H,32,33)/b17-9-/t21-,22-,23+,24-,26+/m0/s1

• Additionnal Information:

  IUPAC name: (2S,3S,4S,5R,6S)-6-(2-(5-fluoro-2-methyl-1-((Z)-4-(methylsulfonyl)benzylidene)-1H-inden-3-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C

• CAS Number:

  60018-37-3