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Product Overview

Product Code

TRC-T444870

CAS Number

125961-82-2

Product Format

Neat

Molecular Formula

C29H38O7S

Molecular Weight

530.67

API Family

Tipelukast

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Documentation

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Product Information

Chemical Data

Analyte Name

Tipelukast

CAS Number

125961-82-2

Molecular Formula

C29H38O7S

Molecular Weight

530.67

Accurate Mass

530.2338

SMILES

OC(=O)CC(=O)OCC1[C@H](O)C(O)C(O)[C@@H](O1)Oc2cc3c(c(O)c2)C(=O)C(=CO3)c4ccc(O)cc4

InChI

InChI=1S/C29H38O7S/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/h12-15,34H,5-11,16-18H2,1-4H3,(H,32,33)

IUPAC

4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Tipelukast

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