ChemicalBook--->CAS DataBase List--->115075-59-7

115075-59-7

115075-59-7 Structure

115075-59-7 Structure
IdentificationBack Directory
[Name]

Ibuprofen Acyl-b-D-glucuronide
[CAS]

115075-59-7
[Synonyms]

Ibuprofen glucuronide
ibuprofen acyl glucuronide
Ibuprofen Acyl--D-glucuronide
Ibuprofen Acyl-beta-D- Glucuronide
(R,S)-Ibuprofen-acyl-beta-D-glucuronide min. 98%
Ibuprofen Acyl-β-D-glucuronide (mixture of diastereomers)
1-[a-Methyl-4-(2-methylpropyl)benzeneacetate] -D-Glucopyranuronic Acid
1-[α-Methyl-4-(2-Methylpropyl)benzeneacetate] β-D-Glucopyranuronic Acid
1-[alpha-Methyl-4-(2-methylpropyl)benzeneacetate] -D-Glucopyranuronic acid
1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid
[Molecular Formula]

C19H26O8
[MDL Number]

MFCD00871942
[MOL File]

115075-59-7.mol
[Molecular Weight]

382.406
Chemical PropertiesBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

White Solid
[Uses]

Ibuprofen Acyl-β-D-glucuronide (mixture of diastereomers) (cas# 115075-59-7) is a compound useful in organic synthesis.
[Definition]

ChEBI: 1-(alpha-Methyl-4-(2-methylpropyl)benzeneacetate)-beta-D-Glucopyranuronic acid is a terpene glycoside.
Safety DataBack Directory
[WGK Germany ]

3
[HS Code ]

2932990090
[Storage Class]

11 - Combustible Solids
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