Analyte Name

Hydroxy Tipelukast Sodium Salt

Molecular Formula

C29 H39 Na O7 S

Molecular Weight

554.67

Accurate Mass

554.231

SMILES

CCCc1c(O)c(ccc1SCCCOc2ccc(C(C)O)c(OCCCC(=O)O[Na])c2CCC)C(=O)C

InChI

InChI=1S/C29H40O7S.Na/c1-5-9-23-25(14-12-22(20(4)31)29(23)36-16-7-11-27(32)33)35-17-8-18-37-26-15-13-21(19(3)30)28(34)24(26)10-6-2;/h12-15,20,31,34H,5-11,16-18H2,1-4H3,(H,32,33);/q;+1/p-1

IUPAC

4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-6-(1-hydroxyethyl)-2-propylphenoxy]butanoyloxysodium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat