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898538-17-5Dapagliflozin Impurity 71

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Katalog-Nr.::	VE0028013
CAS-Nr.::	898538-17-5
Summenformel::	C15H15BrO
Molare Masse::	291.18 g/mol

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Zusätzliche Informationen zu CAS 898538-17-5

Parent drug

Dapagliflozin

IUPAC-Name

1-bromo-3-(4-ethoxybenzyl)benzene

Pharmacopeial Synonyms

N/A

Synonyme

N/A

SMILES

BrC1=CC=CC(CC2=CC=C(OCC)C=C2)=C1

InChI

InChI=1S/C15H15BrO/c1-2-17-15-8-6-12(7-9-15)10-13-4-3-5-14(16)11-13/h3-9,11H,2,10H2,1H3

Beschreibung

Dapagliflozin Impurity 71 (1-bromo-3-(4-ethoxybenzyl)benzene, CAS 898538-17-5) is a brominated aromatic byproduct encountered during key synthetic steps. The molecule (C15H15BrO, MW 291.19) is hydrophobic, shows a characteristic bromine isotope pattern in mass spectrometry, and typically elutes late on reversed-phase HPLC. Formation mechanisms include incomplete coupling or unintended bromination of benzyl intermediates; it is controlled by reaction stoichiometry and targeted purification. Analytical identification uses LC-MS for molecular ion and isotope confirmation, NMR for substitution pattern assignment, and orthogonal HPLC methods for quantification. Monitoring and setting limits for this impurity support regulatory impurity profiling and drug substance quality control.