1-[3-(Dimethylnitroryl)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
[CAS# 917482-45-2]

Identification

• Name: 1-[3-(Dimethylnitroryl)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
• Synonyms: (S)-Citalopram N-Oxide; Citalopram N-Oxide
• Molecular Formula: C₂₀H₂₁FN₂O₂
• Molecular Weight: 340.39
• CAS Registry Number: 917482-45-2
• SMILES: [O-][N+](C)(C)CCCC2(OCc1cc(C#N)ccc12)c3ccc(F)cc3
• InChI: 1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3
• InChIKey: DIOGFDCEWUUSBQ-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)