Methyl 5-{[3-(4,4-Diphenyl-1-Piperidinyl)Propyl]Carbamoyl}-2,6-Dimethyl-4-(4-Nitrophenyl)-1,4-Dihydro-3-Pyridinecarboxylate Hydrochloride (1:1)
[CAS# 157066-76-7]

Identification

• Name: Methyl 5-{[3-(4,4-Diphenyl-1-Piperidinyl)Propyl]Carbamoyl}-2,6-Dimethyl-4-(4-Nitrophenyl)-1,4-Dihydro-3-Pyridinecarboxylate Hydrochloride (1:1)
• Synonyms: [157066-76-7]; 5-[[[3-(4,4-Diphenyl-1-piperidinyl)propyl]amino]carbonyl]-1,4-dihydro-2,6-dimethyl-4-(4-nitrophenyl)-3-pyridinecarboxylic acid methyl ester hydrochloride; SNAP 5089
• Molecular Formula: C₃₆H₄₁ClN₄O₅
• Molecular Weight: 645.19
• CAS Registry Number: 157066-76-7
• SMILES: CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCCCN3CCC(CC3)(C4=CC=CC=C4)C5=CC=CC=C5.Cl
• InChI: 1S/C36H40N4O5.ClH/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29;/h4-9,11-18,33,38H,10,19-24H2,1-3H3,(H,37,41);1H
• InChIKey: MXELDPKESKXREN-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 100 mM in ethanol