trans -(E)-Flupenthixol
[CAS# 53772-85-3]

Identification

• Name: trans -(E)-Flupenthixol
• Synonyms: 2-[4-[(3E)-3-[2-(Trifluoromethyl)Thioxanthen-9-Ylidene]Propyl]Piperazin-1-Yl]Ethanol; 2-[4-[3-[2-(Trifluoromethyl)-9-Thioxanthenylidene]Propyl]-1-Piperazinyl]Ethanol; 2-[4-[(3E)-3-[2-(Trifluoromethyl)-9-Thioxanthenylidene]Propyl]-1-Piperazinyl]Ethanol
• Molecular Formula: C₂₃H₂₅F₃N₂OS
• Molecular Weight: 434.52
• CAS Registry Number: 53772-85-3
• EINECS: 258-759-0
• SMILES: C1=CC3=C(C=C1)SC2=C(C=C(C=C2)C(F)(F)F)\C3=C\CCN4CCN(CCO)CC4
• InChI: 1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
• InChIKey: NJMYODHXAKYRHW-BLLMUTORSA-N

Properties

• Density: 1.307g/cm³ (Cal.)
• Boiling point: 554.688°C at 760 mmHg (Cal.)
• Flash point: 289.265°C (Cal.)