Analyte Name

Zafirlukast M6 Metabolite

CAS Number

219582-85-1

Molecular Formula

C31 H33 N3 O7 S

Molecular Weight

591.67

Accurate Mass

591.2039

SMILES

COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCC(O)C4)cc23)C(=O)NS(=O)(=O)c5ccccc5C

InChI

InChI=1S/C31H33N3O7S/c1-19-6-4-5-7-29(19)42(38,39)33-30(36)21-9-8-20(28(15-21)40-3)14-22-18-34(2)27-13-10-23(16-26(22)27)32-31(37)41-25-12-11-24(35)17-25/h4-10,13,15-16,18,24-25,35H,11-12,14,17H2,1-3H3,(H,32,37)(H,33,36)

IUPAC

(3-hydroxycyclopentyl) N-[3-[[2-methoxy-4-(o-tolylsulfonylcarbamoyl)phenyl]methyl]-1-methyl-indol-5-yl]carbamate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat