Lofentanil
[CAS# 61380-40-3]

Identification

• Name: Lofentanil
• Synonyms: Methyl (3S,4R)-3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propanoyl-Amino)Piperidine-4-Carboxylate; (3S,4R)-3-Methyl-4-(1-Oxopropyl-Phenylamino)-1-(2-Phenylethyl)-4-Piperidinecarboxylic Acid Methyl Ester; (3S,4R)-3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propionyl-Amino)Isonipecotic Acid Methyl Ester
• Molecular Formula: C₂₅H₃₂N₂O₃
• Molecular Weight: 408.54
• CAS Registry Number: 61380-40-3
• SMILES: [C@]3(N(C1=CC=CC=C1)C(=O)CC)(C(=O)OC)[C@H](CN(CCC2=CC=CC=C2)CC3)C
• InChI: 1S/C25H32N2O3/c1-4-23(28)27(22-13-9-6-10-14-22)25(24(29)30-3)16-18-26(19-20(25)2)17-15-21-11-7-5-8-12-21/h5-14,20H,4,15-19H2,1-3H3/t20-,25+/m0/s1
• InChIKey: IMYHGORQCPYVBZ-NBGIEHNGSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 514.377°C at 760 mmHg (Cal.)
• Flash point: 264.886°C (Cal.)