(11bS)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11B-Hexahydro-4H-Pyrazino[2,1-a]Isoquinolin-4-One
[CAS# 57452-97-8]

Identification

• Name: (11bS)-2-(Cyclohexylcarbonyl)-1,2,3,6,7,11B-Hexahydro-4H-Pyrazino[2,1-a]Isoquinolin-4-One
• Synonyms: (S)-(-)-Praziquantel; ZINC00403566
• Molecular Formula: C₁₉H₂₄N₂O₂
• Molecular Weight: 312.41
• CAS Registry Number: 57452-97-8
• SMILES: O=C4N2[C@@H](c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4
• InChI: 1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2/t17-/m1/s1
• InChIKey: FSVJFNAIGNNGKK-QGZVFWFLSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 544.132°C at 760 mmHg (Cal.)
• Flash point: 254.577°C (Cal.)