Lomotil
[CAS# 55840-97-6]

Identification

• Name: Lomotil
• Synonyms: Ethyl 1-(3-Cyano-3,3-Diphenyl-Propyl)-4-Phenyl-Piperidine-4-Carboxylate; (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) 3-Hydroxy-2-Phenyl-Propanoate; Sulfuric Acid; Hydrochloride; 1-(3-Cyano-3,3-Diphenylpropyl)-4-Phenyl-4-Piperidinecarboxylic Acid Ethyl Ester; 3-Hydroxy-2-Phenylpropanoic Acid (8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl) Ester
• Molecular Formula: C₄₇H₅₈ClN₃O₉S
• Molecular Weight: 876.50
• CAS Registry Number: 55840-97-6
• SMILES: C1(CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C#N)(C4=CC=CC=C4)C(OCC)=O.[H+].O=[S](O)(O)=O.C(O)C(C(OC6CC5N(C(CC5)C6)C)=O)C7=CC=CC=C7.[Cl-]
• InChI: 1S/C30H32N2O2.C17H23NO3.ClH.H2O4S/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27;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/h3-17H,2,18-23H2,1H3;2-6,13-16,19H,7-11H2,1H3;1H;(H2,1,2,3,4)
• InChIKey: HKIGPMUNBXIAHY-UHFFFAOYSA-N