(S)-Ibuprofen acyl-β-D-glucuronide

About (S)-Ibuprofen acyl-β-D-glucuronide

(S)-Ibuprofen acyl-β-D-glucuronide is a metabolite or degradation product of Ibuprofen carrying the CAS registry number 98649-76-4. Its molecular formula is C19H26O8 and its molecular weight is 382.4 g/mol. The IUPAC name is (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid. Common synonyms include (S)-Ibuprofen glucuronide and Ibuprofen Acyl-beta-D-glucuronide.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Good laboratory practice and suitable PPE are recommended during handling.

Analytical teams use this compound to identify metabolites and degradants of Ibuprofen, to validate stability-indicating methods (AMV) and to support QC and regulatory filings. It is used across pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, (S)-Ibuprofen acyl-β-D-glucuronide is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Ibuprofen

View every impurity, metabolite and intermediate we list for Ibuprofen.

Ibuprofen impurities

Specifications & identifiers

Chemical identifiers
Product name	(S)-Ibuprofen acyl-β-D-glucuronide
Catalogue No.	VQ-037638
CAS Number	98649-76-4
IUPAC name	(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid
Molecular formula	C₁₉H₂₆O₈
Molecular weight	382.4 g/mol
Exact mass	382.1628
Grade	Reference Standard
HSN code	38229090
InChIKey	ABOLXXZAJIAUGR-LEBSGKMFSA-N
SMILES	C[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O
PubChem CID	92278491

Physical properties
Physical form	Solid
LogP (XLogP3)	2
H-bond donors / acceptors	4 / 8
TPSA	134 Å²
Synonyms	beta-D-Glucopyranuronic acid, 1-[(alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate], beta-D-Glucopyranuronic acid, 1-((alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate), (S)-Ibuprofen glucuronide, Ibuprofen Acyl-beta-D-glucuronide, (S)-Ibuprofen-acyl-b-D-glucuronide, S-Ibuprofen-Acyl-beta-D-Glucuronide, Dexibuprofen-acyl-b-D-glucuronide, (S)-Ibuprofen acyl-, A-D-glucuronide, Ibuprofen-Acyl-beta-D-Glucuronide, S-, (S)-(+)-Ibuprofen acyl-beta-D-glucuronide, 1-(alpha-methyl-4-(2-methylpropyl)benzeneacetate) b-D-Glucopyranuronic acid

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (S)-Ibuprofen acyl-β-D-glucuronide?

The CAS Registry Number of (S)-Ibuprofen acyl-β-D-glucuronide is 98649-76-4. It is also known as beta-D-Glucopyranuronic acid, 1-[(alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate], beta-D-Glucopyranuronic acid, 1-((alphaS)-alpha-methyl-4-(2-methylpropyl)benzeneacetate), (S)-Ibuprofen glucuronide.

What is the molecular formula and molecular weight of (S)-Ibuprofen acyl-β-D-glucuronide?

(S)-Ibuprofen acyl-β-D-glucuronide has the molecular formula C19H26O8 and a molecular weight of 382.4 g/mol. Its IUPAC name is (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxyoxane-2-carboxylic acid.

What is (S)-Ibuprofen acyl-β-D-glucuronide used for?

(S)-Ibuprofen acyl-β-D-glucuronide is supplied as a characterised reference material related to Ibuprofen. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (S)-Ibuprofen acyl-β-D-glucuronide can I order?

We supply (S)-Ibuprofen acyl-β-D-glucuronide in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (S)-Ibuprofen acyl-β-D-glucuronide?

Yes. Every lot of (S)-Ibuprofen acyl-β-D-glucuronide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (S)-Ibuprofen acyl-β-D-glucuronide be shipped internationally?

Yes. We export (S)-Ibuprofen acyl-β-D-glucuronide worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.