Citalopram Oxalate S-Isomer
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219861-08-2Citalopram Oxalate S-Isomer

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Catalogue No.:VL1570001
CAS No.:219861-08-2
Mol. Formula:C22H23FN2O5
Mol. Weight:414.43 g/mol

Additional information on CAS 219861-08-2

Parent drug

Citalopram / Escitalopram

IUPAC Name

S-(+)-1-[3-(Dimethylamino)propyl]-1-(p-fluorophenyl)-5-phthalan carbonitrile oxalate

Pharmacopeial Synonyms

Escitalopram oxalate

Synonyms

(1S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile monooxalate 5-Isobenzofurancarbonitrile, 1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydro-,(1S)-, ethanedioate(1:1)

Smiles

N#CC1=CC=C2[C@@](C3=CC=C(F)C=C3)(CCCN(C)C)OCC2=C1.O=C(O)C(O)

InChI

InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/t20-;/m0./s1

Shipping Condition

Ambient Temperature

Description

Citalopram Oxalate S-Isomer, also designated escitalopram oxalate, CAS 219861-08-2, is the optically active S-enantiomer of the selective serotonin reuptake inhibitor citalopram. As the monooxalate salt of (1S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile, it has molecular formula C22H23FN2O5 and molecular weight 414.43 g/mol. In impurity profiling, it is relevant as an enantiomeric impurity or process-related species arising from incomplete chiral resolution or stereochemical inversion during synthesis. Quantification commonly requires chiral LC and LC-MS/MS, with orthogonal confirmation by NMR or HRMS when required for regulatory assessment.

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