77196-87-3
中文名稱
已酮可可堿雜質(zhì)
英文名稱
1,1'-Methylene Bis[TheobroMine]
CAS
77196-87-3
分子式
C15H16N8O4
分子量
372.34
MOL 文件
77196-87-3.mol
更新日期
2026/04/03 20:30:40
77196-87-3 結(jié)構(gòu)式
基本信息
中文別名
已酮可可堿雜質(zhì)5己酮可可堿EP雜質(zhì)E
己酮可可堿雜質(zhì)E (EP)
英文別名
Pentoxifylline EP impurity E1,1'-Methylene Bis[TheobroMine]
Pentoxifylline Impurity 5(Pentoxifylline EP Impurity E)
Pentoxifylline Impurity 5（Pentoxifylline EP Impurity A）
1,1'-methylenebis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione)
1,1'-Methylenebis[3,7-dihydro-3,7-diMethyl-1H-purine-2,6-dione
1H-Purine-2,6-dione, 1,1'-methylenebis[3,7-dihydro-3,7-dimethyl-
1-[(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-3,7-dimethylpurine-2,6-dione
所屬類別
分析化學：對照品物理化學性質(zhì)
熔點>300oC (dec.)
沸點727.1±70.0 °C(Predicted)
密度1.69±0.1 g/cm3(Predicted)
儲存條件Refrigerator
溶解度輕微溶于TFA
酸度系數(shù)(pKa)0.65±0.70(Predicted)
形態(tài)固體
顏色白色至灰白色
InChIInChI=1S/C15H16N8O4/c1-18-5-16-10-8(18)12(24)22(14(26)20(10)3)7-23-13(25)9-11(17-6-19(9)2)21(4)15(23)27/h5-6H,7H2,1-4H3
InChIKeyJQLBZHMVLVGVBB-UHFFFAOYSA-N
SMILESC(N1C(=O)C2=C(N(C)C1=O)N=CN2C)N1C(=O)C2=C(N(C)C1=O)N=CN2C