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Escitalopram oxalate

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For Research Use Only | Not For Clinical Use
CATAPS219861082
CAS219861-08-2
Structure
MDL NumberMFCD06407826
Synonyms(S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile Ethanedioate, (+)-(S)-1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile Oxalate,Escitalopram Oxalate
IUPAC Name(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid
Molecular Weight414.43
Molecular FormulaC20H21FN2O.C2H2O4
Canonical SMILESCN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3.OC(=O)C(=O)O
InChIInChI=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
InChI KeyKTGRHKOEFSJQNS-BDQAORGHSA-N; traceable to USP 1249406
DescriptionPharmaceutical Secondary Standard; Certified Reference Material
Accurate Mass414.1591
FormatNeat
Gradecertified reference material; pharmaceutical secondary standard
Size1G
TypeAPI
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