Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
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.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-004803 |
CAS: 2673270-26-1 |
Molecular Formula: C35H29D6ClNO3S.Na |
Molecular Weight: 614.20 |
Chemical Structure |
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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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