rac Desfluoro Citalopram Oxalate

Analyte Name

Desfluoro Citalopram Oxalate

CAS Number

1093072-86-6

Molecular Formula

C20 H22 N2 O . C2 H2 O4

Molecular Weight

396.44

Accurate Mass

396.1685

SMILES

CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O

InChI

InChI=1S/C20H22N2O.C2H2O4/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;3-1(4)2(5)6/h3-5,7-10,13H,6,11-12,15H2,1-2H3;(H,3,4)(H,5,6)

IUPAC

1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid

Alternate CAS Number

Free base: 1026009-77-7

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Citalopram

Purity

>95% (HPLC)