40054-68-0
40054-68-0 结构式
基本信息
英文别名
MetizolamMetizolam (1.0 mg/mL in Methanol)
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 4-(2-chlorophenyl)-2-ethyl-
物理化学性质
熔点153-154 °C
沸点527.2±60.0 °C(Predicted)
密度1.46±0.1 g/cm3(Predicted)
储存条件-10 to -25°C
溶解度DMF: 15mg/mL; DMSO: 15mg/mL; DMSO:PBS (pH 7.2) (1:3): 0.25mg/mL
酸度系数(pKa)1.99±0.40(Predicted)
形态结晶固体
InChIInChI=1S/C16H13ClN4S/c1-2-10-7-12-15(11-5-3-4-6-13(11)17)18-8-14-20-19-9-21(14)16(12)22-10/h3-7,9H,2,8H2,1H3
InChIKeyNQSSWDKQLVBUQN-UHFFFAOYSA-N
SMILESN12C=NN=C1CN=C(C1=CC=CC=C1Cl)C1C=C(CC)SC=12