876403-98-4
中文名称
Topiramate Impurity 6
英文名称
Topiramate Impurity 6
CAS
876403-98-4
分子式
C17H30N2O9S
分子量
438.49
MOL 文件
876403-98-4.mol
更新日期
2024/04/17 11:03:26
876403-98-4 结构式
基本信息
中文别名
托吡酯杂质6托吡酯EP杂质B
英文别名
Topiramte EP Impurity BTopiramate EP Impurity B
Topiramate Impurity 2 (Topiramate EP Impurity B)
1-O-[(Diethylcarbamoyl)sulfamoyl]-2,3:4,5-bis-O-(1-methylethylidene)-β-D-fructopyranose
2,3:4,5-Bis-O-(1-methylethylidene)-β-D-fructopyranose 1-[[(diethylamino)carbonyl]sulfamate]
β-D-Fructopyranose, 2,3:4,5-bis-O-(1-methylethylidene)-, 1-[[(diethylamino)carbonyl]sulfamate]
((3aS,5aR,8aR,8bS)-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methyl diethylcarbamoylsulfamate
所属类别
化学试剂：其他酯类化合物物理化学性质
熔点110 - 112°C
密度1.267±0.06 g/cm3(Predicted)
储存条件Hygroscopic, -20°C Freezer, Under inert atmosphere
溶解度可溶于DMSO（少量）、甲醇（少量）
酸度系数(pKa)4.57±0.70(Predicted)
形态固体
颜色白色至灰白色
InChIInChI=1/C17H30N2O9S/c1-7-19(8-2)14(20)18-29(21,22)24-10-17-13(27-16(5,6)28-17)12-11(9-23-17)25-15(3,4)26-12/h11-13H,7-10H2,1-6H3,(H,18,20)/t11-,12-,13+,17+/s3
InChIKeyACYUMNAWFQMILA-ZNWOURNDNA-N
SMILESC([C@]12OC(C)(C)O[C@@]1([H])[C@]1([H])OC(C)(C)O[C@]1([H])CO2)OS(=O)(=O)NC(=O)N(CC)CC |&1:1,7,9,16,r|