Lyspafen
[CAS# 79568-96-0]

Identification

• Name: Lyspafen
• Synonyms: 1-(3-Cyano-3,3-Diphenyl-Propyl)-4-Phenyl-Piperidine-4-Carboxylic Acid; [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] 3-Hydroxy-2-Phenyl-Propanoate; Sulfuric Acid; 1-(3-Cyano-3,3-Diphenylpropyl)-4-Phenyl-4-Piperidinecarboxylic Acid; 3-Hydroxy-2-Phenylpropanoic Acid [(1R,5S)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl] Ester; Sulfuric Acid
• Molecular Formula: C₆₂H₇₆N₄O₁₂S
• Molecular Weight: 1101.36
• CAS Registry Number: 79568-96-0
• SMILES: [C@@H]13N([C@@H](CC1)CC(OC(=O)C(CO)C2=CC=CC=C2)C3)C.[C@@H]46N([C@@H](CC4)CC(OC(=O)C(CO)C5=CC=CC=C5)C6)C.C7(CCN(CC7)CCC(C8=CC=CC=C8)(C9=CC=CC=C9)C#N)(C%10=CC=CC=C%10)C(O)=O.O=[S](O)(O)=O
• InChI: 1S/C28H28N2O2.2C17H23NO3.H2O4S/c29-22-28(24-12-6-2-7-13-24,25-14-8-3-9-15-25)18-21-30-19-16-27(17-20-30,26(31)32)23-10-4-1-5-11-23;2*1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;1-5(2,3)4/h1-15H,16-21H2,(H,31,32);2*2-6,13-16,19H,7-11H2,1H3;(H2,1,2,3,4)/t;2*13-,14+,15?,16?
• InChIKey: RHIPZHIKEJCGKT-ZGKYKXMASA-N