2991059-69-7 (来特莫韦杂质13,Letermovir Impurity 30)

CAS号:
2991059-69-7
中文名称:
来特莫韦杂质13
英文名称:
Letermovir Impurity 30
分子式:
C18H14F4N2O4
分子量:
398.308378696442

来特莫韦杂质13(2991059-69-7)名称与标识符

名称

中文别名:
来特莫韦杂质13;来特莫韦杂质R;
英文别名:
Letomovir Impurity 13;2-(8-fluoro-2-hydroxy-3-(2-methoxy-5-(trifluoromethyl)phenyl)-3, 4-dihydroquinazolin-4-yl)acetic acid;4-Quinazolineacetic acid, 8-fluoro-1,2,3,4-tetrahydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-;Letermovir Impurity 13;(2E)-methyl 3-(3-fluoro-2-((((2-methoxy-5-(trifluoromethyl)phenyl)amino)(piperazin-1-yl)methylene)amino)phenyl)acrylate;

标识符

InChIKey:
ZGYHMSHGMZORQW-UHFFFAOYSA-N
Inchi:
1S/C18H14F4N2O4/c1-28-14-6-5-9(18(20,21)22)7-13(14)24-12(8-15(25)26)10-3-2-4-11(19)16(10)23-17(24)27/h2-7,12H,8H2,1H3,(H,23,27)(H,25,26)
SMILES:
C(C1C2=CC=CC(=C2NC(N1C1C=C(C=CC=1OC)C(F)(F)F)=O)F)C(=O)O

来特莫韦杂质13(2991059-69-7)物化性质

实验特性

  • 沸点 : 565.8±50.0 °C(predicted)
  • 酸度系数(pKa) : 4.14±0.10(predicted)
  • 密度 : 1.432±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)