Description

[13C,2H3]-Ibuprofen is a stable isotope-labeled analog of the widely used non-steroidal anti-inflammatory drug (NSAID) ibuprofen, specifically labeled with carbon-13 and deuterium. This compound is an essential internal standard for the precise and accurate quantification of ibuprofen in complex biological matrices using advanced analytical techniques like LC-MS/MS and GC-MS. It is primarily required by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in pharmacokinetic studies, drug metabolism research, bioanalytical method development, and clinical trial sample analysis.

Application

• Bioanalytical Method Development and Validation: Serves as a critical internal standard for developing and validating robust LC-MS/MS or GC-MS methods for ibuprofen quantification.
• Pharmacokinetic (PK) and Pharmacodynamic (PD) Studies: Enables accurate measurement of drug concentration in plasma, serum, and other biological fluids over time.
• Drug Metabolism and Disposition Research: Used in mass spectrometry-based studies to track and quantify parent drug and potential metabolites without interference.
• Clinical Trial Sample Analysis: Ensures data integrity and regulatory compliance (e.g., FDA, EMA) in bioanalysis for clinical studies involving ibuprofen.
• Forensic and Toxicological Analysis: Provides a reliable reference for the precise determination of ibuprofen levels in forensic investigations.
• Quality Control in Pharmaceutical Manufacturing: Can be utilized in advanced QC protocols for assay and impurity profiling of ibuprofen APIs and formulations.

Basic Information

Product Name	[13C,2H3]-Ibuprofen
CAS No.	1261394-40-4
Molecular Formula	C13H15D3O2 (with 13C labeling)
Molecular Weight	~209.3 g/mol (exact mass depends on labeling position)
Synonyms	Ibuprofen-13C,d3; Deuterated Ibuprofen-13C; (RS)-2-(4-Isobutylphenyl)propionic-13C,2,3,3-d3 acid; 2-[4-(2-Methylpropyl)phenyl]propionic-13C,2,3,3-d3 acid; Isobutylpropionic-13C,d3 acid; Ibuprofen Internal Standard; Ibuprofen-d3-13C; Stable Isotope Labeled Ibuprofen
EINECS	Contact for details

Quality Control

Every batch of [13C,2H3]-Ibuprofen is manufactured and analyzed under strict quality systems to ensure the high chemical purity and isotopic enrichment required for sensitive mass spectrometry applications. Our products undergo rigorous quality testing, including NMR and mass spectrometry, to confirm structure, isotopic purity (e.g., ≥99 atom % 13C, ≥98 atom % D), and chemical purity (typically ≥95% by HPLC). A comprehensive Certificate of Analysis (COA) detailing batch-specific results is provided with each shipment.

Storage

Preserve in a tightly closed container, protected from light. Store at 2-8°C or as indicated on the label or COA. This material is hygroscopic (moisture-sensitive) and should be kept in a cool, dry place. Allow the vial to equilibrate to room temperature before opening to minimize moisture uptake.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (MS)	Conforms to expected m/z
Purity (HPLC)	≥ 95%
Isotopic Purity (13C)	≥ 99 atom %
Isotopic Purity (Deuterium)	≥ 98 atom % D
Chemical Purity (NMR)	Conforms
Solubility	Soluble in methanol, ethanol, DMSO

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.