(-)-cis-5,5a,6,7,8,8a-Hexahydro-3-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)cyclopenta(3,4)pyrrolo(2,1-c)-s-triazole
[CAS# 108785-69-9]

Identification

• Name: (-)-cis-5,5a,6,7,8,8a-Hexahydro-3-(2-(4-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-piperazinyl)ethyl)cyclopenta(3,4)pyrrolo(2,1-c)-s-triazole
• Synonyms: Lorpiprazole; Lorpiprazole [Inn]
• Molecular Formula: C₂₁H₂₆F₃N₅
• Molecular Weight: 405.47
• CAS Registry Number: 108785-69-9
• SMILES: [C@H]23C1=NN=C([N]1C[C@H]2CCC3)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F
• InChI: 1S/C21H26F3N5/c22-21(23,24)16-4-2-5-17(13-16)28-11-9-27(10-12-28)8-7-19-25-26-20-18-6-1-3-15(18)14-29(19)20/h2,4-5,13,15,18H,1,3,6-12,14H2/t15-,18-/m1/s1
• InChIKey: BNRMWKUVWLKDQJ-CRAIPNDOSA-N

Properties

• Density: 1.429g/cm³ (Cal.)
• Boiling point: 556.847°C at 760 mmHg (Cal.)
• Flash point: 290.571°C (Cal.)