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Product Overview

Product Code

TRC-M568035

CAS Number

1266620-74-9

Product Format

Neat

Molecular Formula

C35 H36 Cl N O5 S

Molecular Weight

618.18

API Family

Montelukast Sodium

Product Categories

TRC, Impurity Reference Materials , Additional Covid-19 Research materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

Montelukast Sulfone

CAS Number

1266620-74-9

Molecular Formula

C35 H36 Cl N O5 S

Molecular Weight

618.18

Accurate Mass

617.2003

SMILES

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

InChI

InChI=1S/C35H36ClNO5S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(43(41,42)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-/m1/s1

IUPAC

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

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Montelukast Sodium

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