1-{2-[5-Methoxy-2-(4-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethanone dihydrochloride
[CAS# 86135-92-4]

Identification

• Name: 1-{2-[5-Methoxy-2-(4-{4-[2-(3,4,5-trimethoxyphenyl)ethyl]-1-piperazinyl}butoxy)phenyl]-1,3-benzothiazol-3(2H)-yl}ethanone dihydrochloride
• Molecular Formula: C₃₅H₄₇Cl₂N₃O₆S
• Molecular Weight: 708.74
• CAS Registry Number: 86135-92-4
• SMILES: Cl.Cl.O=C(N1c5ccccc5SC1c4cc(OC)ccc4OCCCCN3CCN(CCc2cc(OC)c(OC)c(OC)c2)CC3)C
• InChI: 1S/C35H45N3O6S.2ClH/c1-25(39)38-29-10-6-7-11-33(29)45-35(38)28-24-27(40-2)12-13-30(28)44-21-9-8-15-36-17-19-37(20-18-36)16-14-26-22-31(41-3)34(43-5)32(23-26)42-4;;/h6-7,10-13,22-24,35H,8-9,14-21H2,1-5H3;2*1H
• InChIKey: BJNRJLYPCSQXIT-UHFFFAOYSA-N

Properties

• Boiling point: 784.6°C at 760 mmHg (Cal.)
• Flash point: 428.3°C (Cal.)