Analyte Name

Hydroxy Tipelukast-d6

Molecular Formula

C29 D6 H34 O7 S

Molecular Weight

538.726

Accurate Mass

538.287

SMILES

[2H]C([2H])(Oc1ccc(C(C)O)c(OCCCC(=O)O)c1CCC)C([2H])([2H])C([2H])([2H])Sc2ccc(C(=O)C)c(O)c2CCC

InChI

InChI=1S/C29H40O7S/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)/i8D2,17D2,18D2

IUPAC

4-[3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl-1,1,2,2,3,3-hexadeuteriopropoxy]-6-(1-hydroxyethyl)-2-propylphenoxy]butanoic acid

Unlabelled CAS Number

1027597-04-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat