Citatepine
[CAS# 65509-66-2]

Identification

• Name: Citatepine
• Synonyms: Citatepine; Citatepine [Inn]
• Molecular Formula: C₂₀H₁₈N₂S
• Molecular Weight: 318.44
• CAS Registry Number: 65509-66-2
• SMILES: C1=C(C#N)C=CC3=C1C4=C(C2=C(C=CC=C2)S3)CCN(CC4)C
• InChI: 1S/C20H18N2S/c1-22-10-8-15-16(9-11-22)18-12-14(13-21)6-7-20(18)23-19-5-3-2-4-17(15)19/h2-7,12H,8-11H2,1H3
• InChIKey: AGBTZJDOBMDLPR-UHFFFAOYSA-N