Theophylline-1,3-15N2,13C CAS 1246816-25-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1246816-25-0
Molecular FormulaC6[13C]H8N2[15N]2O2
Molecular Weight183.14 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Theophylline-1,3-15N2,13C CAS 1246816-25-0 chemical structure

Description

The occurrence of Theophylline-1,3-15N2,13C is closely related to an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

Theophylline-1,3-15N2,13C (CAS 1246816-25-0) is a high-purity analytical reference standard with the molecular formula C6[13C]H8N2[15N]2O2 and a molecular weight of 183.14 g/mol.

Based on its molecular formula C6[13C]H8N2[15N]2O2, Theophylline-1,3-15N2,13C contains an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 183.14 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

As a certified reference material (CRM), Theophylline-1,3-15N2,13C meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC6[13C]H8N2[15N]2O2
Molecular Weight183.14 g/mol
AppearanceOff-white to pale yellow crystalline powder. (faint amine-like odor)
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening
Degree of Unsaturation (DBE)5.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Nitrogen Atoms3

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