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Environmental
Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

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Clinical diagnostic

In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.

Organic Chemistry
Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

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Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Montelukast-[d6] sodium salt

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General Information
Catalog: BLP-004803
CAS: 2673270-26-1
Molecular Formula: C35H29D6ClNO3S.Na
Molecular Weight: 614.20
Chemical Structure
Montelukast-[d6] sodium salt
Description Montelukast-[d6] sodium salt is the labelled salt of Montelukast, which is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies.
Synonyms Montelukast D6 sodium; 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-[1-hydroxy-1-(methyl-d3)ethyl-2,2,2-d3]phenyl]propyl]thio]methyl]-cyclopropaneacetic acid monosodium salt; MK-476-d6; Singulair-d6
IUPAC Name sodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(1,1,1,3,3,3-hexadeuterio-2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Related CAS 151767-02-1 (unlabelled) 158966-92-8 (unlabelled free acid)
Canonical SMILES CC(C)(C1=CC=CC=C1CCC(C2=CC=CC(=C2)C=CC3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]
InChI InChI=1S/C35H36ClNO3S.Na/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(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);/q;+1/p-1/b15-10+;/t32-;/m1./s1/i1D3,2D3;
InChI Key LBFBRXGCXUHRJY-KSWPWUDBSA-M
Melting Point >173°C (dec.)
Purity ≥95%; ≥97% atom D
Solubility Slightly soluble in DMSO, Methanol
Appearance Pale Yellow Solid
Storage Store at -20°C under inert atmosphere
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