Montelukast Impurity E & D

Impurity

This molecule is a impurity of Montelukast.

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Impurity

Montelukast Impurity E & D

Cat. No. ANTPRD5203CAS 1187586-61-3In StockSynthesized

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Technical Data

Cat. No.ANTPRD5203

CAS1187586-61-3

Mol. FormulaC₄₁H₄₆ClNO₅S₂

Mol. Weight732.408 g/mol

IUPAC2-[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

SMILESCC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc([C@@H](Cc2ccc3ccc(Cl)cc3n2)SCC2(CC(=O)O)CC2)c1

InChIInChI=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

InChI KeySJNODSMYYCYZTO-LQFQNGICSA-N

Description

Overview

Montelukast Impurity E & D, Montelukast, 1187586-61-3, 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

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Synonyms

Montelukast EP Impurity D(R,R)-Montelukast Bis-sulfide(R,R)-Montelukast Bis-sulfide (>85%)Cyclopropaneacetic acid, 1-((((1R)-1-(3-((1R)-1-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-2-(7-chloro-2-quinolinyl)ethyl)phenyl)-3-(2-(1-hydroxy-1-methylethyl)phenyl)propyl)thio)methyl)-Michael Adduct (R,R)-Isomer;2-(1-((((R)-1-(3-((R)-1-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid(R,R)-Montelukast Bissulfideorb3214926MONTELUKAST IMPURITY E (R,R){1-[({(1R)-1-{3-[(1R)-1-({[1-(Carboxymethyl)cyclopropyl]methyl}sulfanyl)-2-(7-chloroquinolin-2-yl)ethyl]phenyl}-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl}sulfanyl)methyl]cyclopropyl}acetic acid1-[[[(1R)-1-[3-[(1R)-1-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic Acid