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Product Overview

Product Code

TRC-M567970

CAS Number

1187586-61-3

EP Description

Montelukast EP Impurity D

USP Description

Montelukast USP Related Compound C

Product Format

Neat

Molecular Formula

C41 H46 Cl N O5 S2

Molecular Weight

732.39

API Family

Montelukast

Product Categories

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

Product Type

Impurity, API

Alternate CAS Number

Mix of diastereomers: 1242260-05-4

Documentation

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Product Information

Chemical Data

Analyte Name

(R,R)-Montelukast Bis-sulfide

CAS Number

1187586-61-3

Molecular Formula

C41 H46 Cl N O5 S2

Molecular Weight

732.39

Accurate Mass

731.2506

SMILES

CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)O)CC2)c3cccc(c3)[C@@H](Cc4ccc5ccc(Cl)cc5n4)SCC6(CC(=O)O)CC6

InChI

InChI=1S/C41H46ClNO5S2/c1-39(2,48)33-9-4-3-6-27(33)12-15-35(49-25-40(16-17-40)23-37(44)45)29-7-5-8-30(20-29)36(50-26-41(18-19-41)24-38(46)47)22-32-14-11-28-10-13-31(42)21-34(28)43-32/h3-11,13-14,20-21,35-36,48H,12,15-19,22-26H2,1-2H3,(H,44,45)(H,46,47)/t35-,36-/m1/s1

IUPAC

2-[1-[[(1R)-1-[3-[(1R)-1-[[1-(carboxymethyl)cyclopropyl]methylsulfanyl]-2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid

Alternate CAS Number

Mix of diastereomers: 1242260-05-4

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Montelukast

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(R,R)-Montelukast Bis-sulfide (~90%)

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