Products 1440961-11-4

CAS 1440961-11-4 appears in our catalog under these names: Citalopram EP Impurity C Oxalate (3-Oxo Citalopram Oxalate), (3RS)-6-Cyano-3-(3-(dimethylamino)propyl)-3-(4-fluorophenyl)isobenzofuran-1(3H)-one Oxalate, Citalopram Related Compound C Oxalate Salt, 98%, 98%. Offered by: Chemat Brand, Mikromol, Biosynth, Chemat. Available pack sizes: on request, 25mg, 100mg, 50mg.

Structural formula: {0} (CAS {1})

1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile;oxalic acid (CAS 1440961-11-4) is a chemical compound with the molecular formula C22H21FN2O6 and a molecular weight of 428.4 g/mol. IUPAC name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile;oxalic acid. InChIKey: OOOSHXRAOKIVNG-UHFFFAOYSA-N.

Identity
Molecular formulaC22H21FN2O6
Molecular weight428.4 g/mol
IUPAC name1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile;oxalic acid
InChIKeyOOOSHXRAOKIVNG-UHFFFAOYSA-N
SMILESCN(C)CCCC1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O

Computed by PubChem (NCBI)