Analyte Name

Cinalukast

CAS Number

128312-51-6

Molecular Formula

C23 H28 N2 O3 S

Molecular Weight

412.54

Accurate Mass

412.1821

SMILES

CCC(CC)(CC(=O)Nc1cccc(\C=C\c2nc(cs2)C3CCC3)c1)C(=O)O

InChI

InChI=1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+

IUPAC

4-[3-[(E)-2-(4-cyclobutyl-1,3-thiazol-2-yl)ethenyl]anilino]-2,2-diethyl-4-oxobutanoic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat