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(3RS)-6-Cyano-3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)isobenzofuran-1(3H)-one Oxalate

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For Research Use Only | Not For Clinical Use
CATAPS1440961114
CAS1440961-11-4
Structure
Synonyms3-Oxo Citalopram oxalate, (1RS)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-1,3-dihydro-2-benzofuran-5-carbonitrile oxalate, Citalopram USP Related Compound C, 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-, ethanedioate (1:1), 3-(3-N,N-Dimethylamino)-1-(4-fluorophenyl)-6-cyano-1(3H)-isobenzofuranone,Citalopram Hydrobromide Imp. C (EP), Citalopram USP RC C, Citalopram Imp. C (EP), (3RS)-6-Cyano-3-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)isobenzofuran-1(3H)-one Oxalate, Citalopram Related Compound C (USP)
IUPAC Name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile;oxalic acid
Molecular Weight428.41
Molecular FormulaC20H19FN2O2.C2H2O4
Canonical SMILESCN(C)CCCC1(OC(=O)c2cc(ccc12)C#N)c3ccc(F)cc3.OC(=O)C(=O)O
InChIInChI=1S/C20H19FN2O2.C2H2O4/c1-23(2)11-3-10-20(15-5-7-16(21)8-6-15)18-9-4-14(13-22)12-17(18)19(24)25-20;3-1(4)2(5)6/h4-9,12H,3,10-11H2,1-2H3;(H,3,4)(H,5,6)
Accurate Mass428.1384
API FamilyMatrix - API Family Citalopram Hydrobromide; Escitalopram Oxalate
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Size25MG
Storage Conditions+5°C
SubcategoryMikromol, Serotonin, Antidepressants, Impurity standards
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