CAS 115075-59-7: Ibuprofen glucuronide

Description:Ibuprofen glucuronide is a metabolite of ibuprofen, a widely used nonsteroidal anti-inflammatory drug (NSAID). It is formed through the process of glucuronidation, where the ibuprofen molecule is conjugated with glucuronic acid, enhancing its solubility and facilitating excretion. This compound is typically characterized by its molecular formula, which reflects the addition of a glucuronic acid moiety to the ibuprofen structure. Ibuprofen glucuronide is generally less pharmacologically active than its parent compound, ibuprofen, but it plays a crucial role in the drug's metabolism and elimination from the body. Its presence in biological samples can be indicative of ibuprofen use and is often analyzed in pharmacokinetic studies. The compound is soluble in water due to its polar nature, which is a result of the glucuronidation process. Understanding the characteristics of ibuprofen glucuronide is essential for comprehending the metabolic pathways of ibuprofen and its overall pharmacological profile.

Formula:C₁₉H₂₆O₈

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:O=C(O)C1OC(OC(=O)C(C2=CC=C(C=C2)CC(C)C)C)C(O)C(O)C1O

Synonyms:
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]
β-D-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate]
Ibuprofen-β-D-glucuronide
See more synonyms

Found 7 products.

Product data	Purity	Price range	Estimated delivery
β-D-Glucopyranuronic acid, 1-[α-methyl-4-(2-methylpropyl)benzeneacetate] REF: IN-DA000FVUCAS: 115075-59-7	- - -	To inquire	Fri 11 Apr 25
Ibuprofen Acyl Glucuronide (Mixture of Diastereomers) REF: 4Z-I-042CAS: 115075-59-7	- - -	1,230.00 €~10,356.00 €	Mon 14 Apr 25
(R,S)-Ibuprofen-acyl-β-D-glucuronide REF: 54-BICL4117CAS: 115075-59-7	98% min	355.00 €~1,153.00 €	Mon 21 Apr 25
Ibuprofen acyl-b-D-glucuronide REF: 7W-GC2836CAS: 115075-59-7	- - -	383.00 €~1,861.00 €	Mon 21 Apr 25
Ibuprofen Acyl-β-D-glucuronide (mixture of diastereomers) REF: TR-I140030CAS: 115075-59-7	- - -	173.00 €~1,036.00 €	Mon 21 Apr 25
Ibuprofen-d3 Acyl-β-D-glucuronide (mixture of diastereomers) REF: TR-I140032CAS: 115075-59-7	- - -	465.00 €~3,147.00 €	Mon 21 Apr 25
Ibuprofen acyl-b-D-glucuronide REF: 3D-MI10192CAS: 115075-59-7	Min. 95%	256.00 €~3,026.00 €	Tue 22 Apr 25