Ibuprofen-d3 Acyl-Beta-D-glucuronide (mixture of diastereomers)

• Synonyms:

  2-(4-Isobutylphenyl)propionic Acid Acyl-β-D-glucuronide

• Hazard Statement:

  Harmful if swallowed.

• Smiles:

  [2H]C([2H])([2H])C(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2ccc(CC(C)C)cc2

• Molecular Formula:

  C19 D3 H23 O8

• Molecular Weight:

  385.42

• InChI:

  InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1/i3D3

• Additionnal Information:

  IUPAC name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,3,3-trideuterio-2-(4-isobutylphenyl)propanoyl]oxy-tetrahydropyran-2-carboxylic acid

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C