Perphyllon
[CAS# 8066-99-7]

基本信息

• 产品名称: Perphyllon
• 英文名: Perphyllon
• 别名: 1-[(3,4-Dimethoxyphenyl)Methyl]-6,7-Dimethoxy-Isoquinoline; (8,8-Dimethyl-8-Azoniabicyclo[3.2.1]Octan-3-Yl) 3-Hydroxy-2-Phenyl-Propanoate; 1,3-Dimethyl-7H-Purine-2,6-Dione; 5-Ethyl-5-Phenyl-Hexahydropyrimidine-2,4,6-Trione; 7-(2-Hydroxyethyl)-1,3-Dimethyl-Purine-2,6-Dione; Nitrate
• 分子式: C₆₆H₈₀ClN₁₃O₁₈
• 分子量: 1378.89
• CAS 登录号: 8066-99-7
• 分子行输入简码 SMILES: N2C(=O)C(CC)(C1=CC=CC=C1)C(=O)NC2=O.[N]4(C3=C(N(C(=O)N(C3=O)C)C)N=C4)CCO.N6=C(C5=CC(=C(OC)C=C5C=C6)OC)CC7=CC(=C(OC)C=C7)OC.N9(C8=C([NH]C=N8)C(=O)N(C9=O)C)C.[N+]([O-])([O-])=O.[H+].C%12=C(C(C(OC%11CC%10[N+](C(CC%10)C%11)(C)C)=O)CO)C=CC=C%12.[Cl-]
• 国际化学标识码 InChI: 1S/C20H21NO4.C18H26NO3.C12H12N2O3.C9H12N4O3.C7H8N4O2.ClH.NO3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;2-1(3)4/h5-8,10-12H,9H2,1-4H3;3-7,14-17,20H,8-12H2,1-2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17);5,14H,3-4H2,1-2H3;3H,1-2H3,(H,8,9);1H;/q;+1;;;;;-1
• 国际化学标识检索码 InChIKey: RGRSIBRQWJTNMU-UHFFFAOYSA-N

物理化学性质

• 沸点: 483.2°C at 760 mmHg （计算值）
• 闪点: 172.2°C （计算值）