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Product Overview

Product Code

TRC-D290041

CAS Number

906107-37-7

Product Format

Neat

Molecular Formula

C34H33Cl2NO4S

Molecular Weight

622.6

API Family

Montelukast

Product Categories

Impurity Reference Materials , Dopamine receptors, Neurotransmission, Alzheimer's, Depression, Huntington's, Parkinson's, Schizophrenia, Addiction, Stress and Anxiety, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Additional Covid-19 Research materials, Pain and Inflammation, TRC, API Reference Standards & Research Materials

Product Type

Impurity, API

Alternate CAS Number

Free base: 851755-56-1

Documentation

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Product Information

Chemical Data

Analyte Name

2'-Des(1-hydroxy-1-methylethyl)-2'-methycarboxy Montelukast Hydrochloride

CAS Number

906107-37-7

Molecular Formula

C34H33Cl2NO4S

Molecular Weight

622.6

Accurate Mass

621.1507

SMILES

ClC1=CC(N=C(/C=C/C2=CC=CC([C@H](SCC3(CC3)CC(O)=O)CCC4=C(C(OC)=O)C=CC=C4)=C2)C=C5)=C5C=C1.Cl

InChI

InChI=1S/C34H32ClNO4S.ClH/c1-40-33(39)29-8-3-2-6-24(29)12-16-31(41-22-34(17-18-34)21-32(37)38)26-7-4-5-23(19-26)9-14-28-15-11-25-10-13-27(35)20-30(25)36-28;/h2-11,13-15,19-20,31H,12,16-18,21-22H2,1H3,(H,37,38);1H/b14-9+;/t31-;/m1./s1

IUPAC

2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-(2-methoxycarbonylphenyl)propyl]sulfanylmethyl]cyclopropyl]acetic acid;hydrochloride

Alternate CAS Number

Free base: 851755-56-1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Montelukast

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