4-(Methoxycarbonyl)-1-Phenethyl-4-(N-Phenylpropionylamino)Piperidinium Dihydrogen Citrate
[CAS# 61380-27-6]

Identification

• Name: 4-(Methoxycarbonyl)-1-Phenethyl-4-(N-Phenylpropionylamino)Piperidinium Dihydrogen Citrate
• Synonyms: Citric Acid; Methyl 4-(2-Oxo-1-Phenyl-Butyl)-1-(2-Phenylethyl)Piperidine-4-Carboxylate; Citric Acid; 4-(2-Oxo-1-Phenylbutyl)-1-(2-Phenylethyl)-4-Piperidinecarboxylic Acid Methyl Ester; Citric Acid; 4-(2-Keto-1-Phenyl-Butyl)-1-(2-Phenylethyl)Isonipecotic Acid Methyl Ester
• Molecular Formula: C₃₁H₃₉NO₁₀
• Molecular Weight: 585.65
• CAS Registry Number: 61380-27-6
• EINECS: 262-748-6
• SMILES: C3=C(C(C1(C(OC)=O)CCN(CC1)CCC2=CC=CC=C2)C(=O)CC)C=CC=C3.C(C(O)(C(=O)O)CC(=O)O)C(=O)O
• InChI: 1S/C25H31NO3.C6H8O7/c1-3-22(27)23(21-12-8-5-9-13-21)25(24(28)29-2)15-18-26(19-16-25)17-14-20-10-6-4-7-11-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-13,23H,3,14-19H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
• InChIKey: RTDOHCZWOSOJKQ-UHFFFAOYSA-N

Safety Data

• Controlled Substance: DEA Drug Code Number: 9743