Ivacaftor Carboxylic Acid

Analyte Name

Ivacaftor carboxylic acid

CAS Number

1246213-24-0

Molecular Formula

C24 H26 N2 O5

Molecular Weight

422.47

Accurate Mass

422.1842

SMILES

CC(C)(C)c1cc(c(O)cc1NC(=O)C2=CNc3ccccc3C2=O)C(C)(C)C(=O)O

InChI

InChI=1S/C24H26N2O5/c1-23(2,3)15-10-16(24(4,5)22(30)31)19(27)11-18(15)26-21(29)14-12-25-17-9-7-6-8-13(17)20(14)28/h6-12,27H,1-5H3,(H,25,28)(H,26,29)(H,30,31)

IUPAC

2-[5-tert-butyl-2-hydroxy-4-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]-2-methylpropanoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

Purity

>95% (HPLC)