Ibuprofen Acyl-b-D-glucuronide (mixture of diastereomers)

CAS: 115075-59-7

Ref. TR-I140030

Product Information

• Name: Ibuprofen Acyl-b-D-glucuronide (mixture of diastereomers)
• Synonyms: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-(2-methylpropyl)phenyl]propanoyloxy]oxane-2-carboxylic acid, 1-O-{2-[4-(2-methylpropyl)phenyl]propanoyl}-beta-D-glucopyranuronic acid, 1-[a-Methyl-4-(2-methylpropyl)benzeneacetate] -D-Glucopyranuronic Acid, 1-[alpha-Methyl-4-(2-methylpropyl)benzeneacetate] -D-Glucopyranuronic acid, Ibuprofen Acyl Glucuronide, Ibuprofen Acyl--D-glucuronide, Ibuprofen glucuronide, Ibuprofen-β-<span class="text-smallcaps">D</span>-glucuronide, β-<span class="text-smallcaps">D</span>-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate]

Description

Stability Hygroscopic, Not stable in aqueous solutions.
Applications Ibuprofen Acyl-β-D-glucuronide (mixture of diastereomers) (cas# 115075-59-7) is a compound useful in organic synthesis.

• Brand: TRC

Chemical properties

• Molecular weight: 382.40
• Formula: C₁₉H₂₆O₈
• Color/Form: Neat
• 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
• InChI key: InChIKey=ABOLXXZAJIAUGR-JPMMFUSZSA-N
• SMILES: CC(C)Cc1ccc(C(C)C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1