VX-770(1246213-23-9)名称与标识符
名称
中文别名:
Ivacaftor杂质2;N-(2-(叔丁基)-5-羟基-4-(1-羟基-2-甲基丙烷-2-基)苯基)-4-氧代-1,4-二氢喹啉-3-羧酰胺;
英文别名:
VX-770;N-(2-(tert-Butyl)-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide;Hydroxymethyl Ivacaftor;N-[2-tert-butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1H-quinoline-3-carboxamide;
标识符
InChIKey:
HFNOECBPRSJRQD-UHFFFAOYSA-N
Inchi:
InChI=1S/C24H28N2O4/c1-23(2,3)16-10-17(24(4,5)13-27)20(28)11-19(16)26-22(30)15-12-25-18-9-7-6-8-14(18)21(15)29/h6-12,27-28H,13H2,1-5H3,(H,25,29)(H,26,30)
SMILES:
CC(C)(C1=CC(C(C)(CO)C)=C(O)C=C1NC(C2=CNC3=CC=CC=C3C2=O)=O)C