Upadacitinib Impurity 111 CAS CATO-C4X-2405111

Purity 97%+In StockPharmacopoeial Impurity Standards
CAS No.CATO-C4X-2405111
Molecular FormulaC8H14BrNO
Molecular WeightN/A
CategoryPharmacopoeial Impurity Standards / EP Impurities
AvailabilityIn Stock

Chemical Structure

Upadacitinib Impurity 111 CAS CATO-C4X-2405111 chemical structure

Description

Recommended for quantitative analysis by HPLC, GC, LC-MS/MS, or GC-MS as an external calibration standard; it can also be used for spiked-recovery experiments, LOD/LOQ determination, and LC-MS/MS multiple-reaction-monitoring (MRM) calibration.

Upadacitinib Impurity 111 (CAS CATO-C4X-2405111) is a certified pharmaceutical impurity reference standard with the molecular formula C8H14BrNOHBr and a molecular weight of 301.02 g/mol.

The molecular framework of Upadacitinib Impurity 111 (C8H14BrNOHBr) is characterized by an amide group, a hydroxyl group, an ether linkage, bromine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC8H14BrNO HBr
Molecular Weight301.02 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityLight-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)1.0
Halogen ContentBr-containing
Nitrogen Atoms1

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