5,7-Dimethyl-2,4-dioxo-1-[3-(4-phenethyl-1-piperazinyl)propyl]-3-[2-(trifluoromethyl)phenyl]-6-quinazolinecarboxylic acid ethyl ester dihydrochloride
[CAS# 99661-28-6]

Identification

• Name: 5,7-Dimethyl-2,4-dioxo-1-[3-(4-phenethyl-1-piperazinyl)propyl]-3-[2-(trifluoromethyl)phenyl]-6-quinazolinecarboxylic acid ethyl ester dihydrochloride
• Synonyms: 5,7-Dimethyl-2,4-Dioxo-1-[3-(4-Phenethyl-1-Piperazinyl)Propyl]-3-[2-(Trifluoromethyl)Phenyl]-6-Quinazolinecarboxylic Acid Ethyl Ester Dihydrochloride; 2,4-Diketo-5,7-Dimethyl-1-[3-(4-Phenethylpiperazin-1-Yl)Propyl]-3-[2-(Trifluoromethyl)Phenyl]Quinazoline-
• Molecular Formula: C₃₅H₄₁Cl₂F₃N₄O₄
• Molecular Weight: 709.63
• CAS Registry Number: 99661-28-6
• SMILES: [H+].[H+].C(N1CCN(CC1)CCC2=CC=CC=C2)CCN4C3=C(C(=C(C(=C3)C)C(OCC)=O)C)C(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F.[Cl-].[Cl-]
• InChI: 1S/C35H39F3N4O4.2ClH/c1-4-46-33(44)30-24(2)23-29-31(25(30)3)32(43)42(28-14-9-8-13-27(28)35(36,37)38)34(45)41(29)17-10-16-39-19-21-40(22-20-39)18-15-26-11-6-5-7-12-26;;/h5-9,11-14,23H,4,10,15-22H2,1-3H3;2*1H
• InChIKey: CPUQPTMXKBMGSW-UHFFFAOYSA-N

Properties

• Boiling point: 727.1°C at 760 mmHg (Cal.)
• Flash point: 393.5°C (Cal.)