5,5'-Diethoxy-3,3',4,4'-Tetrahydro-8,8'-Dimethoxy-1,1'-Binaphthalene
[CAS# 115388-32-4]

Identification

• Name: 5,5'-Diethoxy-3,3',4,4'-Tetrahydro-8,8'-Dimethoxy-1,1'-Binaphthalene
• Synonyms: 2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Ium-1-Yl]Butyl]Isoindoline-1,3-Dione; 2-[4-[4-(2-Methoxyphenyl)-1-Piperazin-1-Iumyl]Butyl]Isoindoline-1,3-Dione; 2-[4-[4-(2-Methoxyphenyl)Piperazin-1-Ium-1-Yl]Butyl]Isoindoline-1,3-Quinone
• Molecular Formula: C₂₃H₂₈N₃O₃
• Molecular Weight: 394.49
• CAS Registry Number: 115388-32-4
• SMILES: C4=C(N1CC[NH+](CC1)CCCCN3C(=O)C2=CC=CC=C2C3=O)C(=CC=C4)OC
• InChI: 1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3/p+1
• InChIKey: SJDOMIRMMUGQQK-UHFFFAOYSA-O

Properties

• Boiling point: 560.813°C at 760 mmHg (Cal.)
• Flash point: 292.97°C (Cal.)

References

• (1): A. Dalpiaz, V. Ferretti, P. Gilli and V. Bertolasi. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT1, 5-HT 2 and 5-HT3 receptor subtypes, Acta Cryst. (1996). B52, 509-518