3-Oxo Citalopram

• CAT Number: R009449
• CAS Number: 372941-54-3
• Molecular Formula: C20H19FN2O2
• Molecular Weight: 338.38
• Purity: ≥95%
• Synonyms: 1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-oxo-?5-isobenzofurancarbonitrile; USP Citalopram Related Compound C
• Storage: Store at -20°C
• IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-oxo-2-benzofuran-5-carbonitrile
• InChI: InChI=1S/C20H19FN2O2/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/h4-9,12H,3,10-11H2,1-2H3
• InChIKey: ASGSMDPSNUXWMB-UHFFFAOYSA-N
• SMILES: CN(C)CCCC1(C2=C(C=C(C=C2)C#N)C(=O)O1)C3=CC=C(C=C3)F

3-Oxo citalopram（Cat No.:R009449）is a synthetic derivative and oxidative metabolite of citalopram, a widely prescribed selective serotonin reuptake inhibitor (SSRI) used in the treatment of depression and anxiety disorders. In this compound, the 3-position of the dihydroisobenzofuran ring is oxidized to a ketone, potentially altering its pharmacological activity and metabolic stability. 3-Oxo citalopram is often studied to understand the biotransformation, pharmacokinetics, and receptor binding profile of citalopram and its metabolites. It is useful in drug metabolism studies, aiding in the evaluation of efficacy, toxicity, and clearance mechanisms in clinical pharmacology.