Litalgin
[CAS# 80186-93-2]

Identification

• Name: Litalgin
• Synonyms: Sodium; 2-Dimethylaminoethyl 2-Hydroxy-2,2-Diphenyl-Acetate; [(1,5-Dimethyl-3-Oxo-2-Phenyl-Pyrazol-4-Yl)-Methyl-Amino]Methanesulfonate; Methyl 2-[4-[2-(1-Piperidyl)Ethoxy]Benzoyl]Benzoate; Dihydrochloride; Sodium
• Molecular Formula: C₅₃H₆₄Cl₂N₅NaO₁₁S
• Molecular Weight: 1073.07
• CAS Registry Number: 80186-93-2
• SMILES: N1(CCCCC1)CCOC2=CC=C(C=C2)C(=O)C3=CC=CC=C3C(OC)=O.C(O)(C4=CC=CC=C4)(C5=CC=CC=C5)C(OCCN(C)C)=O.[H+].[H+].C([S]([O-])(=O)=O)N(C6=C(N(N(C6=O)C7=CC=CC=C7)C)C)C.[Cl-].[Cl-].[Na+]
• InChI: 1S/C22H25NO4.C18H21NO3.C13H17N3O4S.2ClH.Na/c1-26-22(25)20-8-4-3-7-19(20)21(24)17-9-11-18(12-10-17)27-16-15-23-13-5-2-6-14-23;1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;;;/h3-4,7-12H,2,5-6,13-16H2,1H3;3-12,21H,13-14H2,1-2H3;4-8H,9H2,1-3H3,(H,18,19,20);2*1H;/q;;;;;+1/p-1
• InChIKey: PHGXEEJLYUGZLR-UHFFFAOYSA-M

Properties

• Boiling point: 512°C at 760 mmHg (Cal.)
• Flash point: 263.4°C (Cal.)