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115075-59-7

Name Ibuprofen Acyl-b-D-glucuronide
CAS 115075-59-7
Molecular Formula C19H26O8
MDL Number MFCD00871942
Molecular Weight 382.406
MOL File 115075-59-7.mol
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Chemical Properties

Appearance White Solid
Melting point  26-28°C
Boiling point  567.3±50.0 °C(Predicted)
density  1.34±0.1 g/cm3(Predicted)
storage temp.  Hygroscopic, -20°C Freezer, Under Inert Atmosphere
solubility  Acetonitrile (Slightly, Heated), DMSO (Slightly), Methanol (Slightly, Sonicated)
form  neat
pka 2.68±0.70(Predicted)
color  White to Pale Yellow
Stability: Hygroscopic, Not stable in aqueous solutions.
Major Application forensics and toxicology
pharmaceutical (small molecule)
InChIKey ABOLXXZAJIAUGR-JPMMFUSZSA-N
SMILES CC(C)Cc1ccc(cc1)C(C)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

Safety Data

WGK Germany  3
HS Code  2932990090
Storage Class 11 - Combustible Solids

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