cis-(-)-4-(Methoxycarbonyl)-3-Methyl-1-Phenethyl-4-(N-Phenylpropionylamino)Piperidinium Hydrogen Oxalate
[CAS# 61380-41-4]

Identification

• Name: cis-(-)-4-(Methoxycarbonyl)-3-Methyl-1-Phenethyl-4-(N-Phenylpropionylamino)Piperidinium Hydrogen Oxalate
• Synonyms: Methyl (3S,4R)-3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propanoyl-Amino)Piperidine-4-Carboxylate; Oxalic Acid; (3S,4R)-3-Methyl-4-(1-Oxopropyl-Phenylamino)-1-(2-Phenylethyl)-4-Piperidinecarboxylic Acid Methyl Ester; Oxalic Acid; (3S,4R)-3-Methyl-1-(2-Phenylethyl)-4-(Phenyl-Propionyl-Amino)Isonipecotic Acid Methyl Ester; Oxalic Acid
• Molecular Formula: C₂₇H₃₄N₂O₇
• Molecular Weight: 498.57
• CAS Registry Number: 61380-41-4
• EINECS: 262-750-7
• SMILES: [C@@]2(N(C1=CC=CC=C1)C(=O)CC)([C@H](CN(CC2)CCC3=CC=CC=C3)C)C(OC)=O.O=C(O)C(=O)O
• InChI: 1S/C25H32N2O3.C2H2O4/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;3-1(4)2(5)6/h5-14,20H,4,15-19H2,1-3H3;(H,3,4)(H,5,6)/t20-,25+;/m0./s1
• InChIKey: CBKLICUQYUTWQL-XWGBWKJCSA-N

Properties

• Boiling point: 514.4°C at 760 mmHg (Cal.)
• Flash point: 264.9°C (Cal.)