Description

Theophylline-1,3-15N2,13C CAS NO 1246816-25-0 is a high-purity, stable isotope-labeled analog of the bronchodilator theophylline, specifically enriched with carbon-13 and nitrogen-15 at the 1 and 3 positions. This compound is essential for advanced analytical and research applications requiring precise internal standards for accurate quantification. It is primarily used by pharmaceutical R&D laboratories, contract research organizations (CROs), and academic institutions engaged in pharmacokinetic studies, drug metabolism research, and bioanalytical method development.

Application

• Internal Standard for LC-MS/MS: Serves as a critical, non-interfering internal standard for the precise quantification of theophylline and its metabolites in complex biological matrices like plasma, serum, and urine.
• Drug Metabolism and Pharmacokinetics (DMPK): Enables accurate tracing and mass spectrometric analysis of drug absorption, distribution, metabolism, and excretion (ADME) pathways.
• Bioanalytical Method Development and Validation: Used to develop, optimize, and validate highly sensitive and specific analytical methods in compliance with FDA, EMA, and ICH guidelines.
• Clinical Research and Therapeutic Drug Monitoring (TDM): Facilitates reliable measurement of theophylline concentrations in patient samples to ensure therapeutic efficacy and avoid toxicity.
• Isotope Dilution Mass Spectrometry (IDMS): Employed in definitive methods for clinical chemistry and the certification of reference materials due to its high isotopic purity and chemical identity.
• Pharmaceutical Impurity Profiling: Aids in the identification and quantification of process-related impurities or degradants in active pharmaceutical ingredient (API) batches.

Basic Information

Product Name	Theophylline-1,3-15N2,13C
CAS No.	1246816-25-0
Molecular Formula	C713CH8N415N2O2
Molecular Weight	184.13 g/mol (Approx., based on isotopic enrichment)
Synonyms	1,3-Dimethylxanthine-1,3-15N2,13C; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione-1,3-15N2,13C; Theophylline-1,3-15N2,13C (isotopic); [1,3-15N2,13C]Theophylline; 1,3-Dimethyl-2,6-dioxopurine-1,3-15N2,13C; Isotopically Labeled Theophylline; Stable Isotope-Labeled Theophylline Internal Standard
EINECS	Contact for details

Quality Control

Every batch of Theophylline-1,3-15N2,13C is manufactured and analyzed under strict quality systems. We guarantee high chemical and isotopic purity,
verified by advanced spectroscopic and chromatographic techniques including NMR, HPLC, and LC-MS. A comprehensive Certificate of Analysis (COA) is provided with each shipment, detailing assay, isotopic enrichment, and impurity profiles to support your regulatory submissions and ensure data integrity.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry environment. The product is hygroscopic (moisture-sensitive); ensure the container is sealed after each use to prevent absorption of atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Assay (HPLC)	≥ 98.0% (on anhydrous basis)
Isotopic Enrichment	≥ 99 atom % 13C; ≥ 99 atom % 15N
Chemical Purity (HPLC)	≥ 99.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%

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