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Product Overview

Product Code

TRC-M568023

CAS Number

1428511-42-5

Product Format

Neat

Molecular Formula

C35 H36 Cl N O4 S

Molecular Weight

602.183

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

(Z)-Montelukast Sulfoxide

CAS Number

1428511-42-5

Molecular Formula

C35 H36 Cl N O4 S

Molecular Weight

602.183

Accurate Mass

601.205

SMILES

CC(C)(O)c1ccccc1CC[C@H](c2cccc(\C=C/c3ccc4ccc(Cl)cc4n3)c2)S(=O)CC5(CC(=O)O)CC5

InChI

InChI=1S/C35H36ClNO4S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(42(41)23-35(18-19-35)22-33(38)39)27-8-5-6-24(20-27)10-15-29-16-12-26-11-14-28(36)21-31(26)37-29/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39)/b15-10-/t32-,42?/m1/s1

IUPAC

2-[1-[[(1R)-1-[3-[(Z)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfinylmethyl]cyclopropyl]acetic acid

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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