Escitalopram Desfluoro Impurity (HBr salt)
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1346617-30-8Escitalopram Desfluoro Impurity (HBr salt)

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Catalogue No.:VL1570002
CAS No.:1346617-30-8
Mol. Formula:C20H23BrN2O
Mol. Weight:387.31

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75 mg $490.50
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Additional information on CAS 1346617-30-8

Parent drug

Escitalopram

IUPAC Name

(1S)-1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Hydrobromide

Synonyms

N/A

Smiles

N#CC1=CC2=C([C@@](C3=CC=CC=C3)(CCCN(C)C)OC2)C=C1.[H]Br

InChI

InChI=1S/C20H22N2O.BrH/c1-22(2)12-6-11-20(18-7-4-3-5-8-18)19-10-9-16(14-21)13-17(19)15-23-20;/h3-5,7-10,13H,6,11-12,15H2,1-2H3;1H/t20-;/m0./s1

Description

Escitalopram Desfluoro Impurity (HBr salt), CAS 1346617-30-8, is a halogen-deficient structural analog of the SSRI escitalopram, formally represented as C20H23BrN2O with molecular weight 387.31. The bromide salt reflects protonation of the basic amine, while the desfluoro motif indicates loss of the aryl fluorine substituent during synthesis or downstream transformation. Such impurities are typically process-related byproducts arising from incomplete fluorination, aromatic substitution errors, or halide exchange. Regulatory assessment follows impurity qualification principles under ICH Q3A/Q3B, and trace determination commonly requires LC-MS/MS, LC-HRMS, and orthogonal chromatographic methods, with NMR used for structural confirmation.

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