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Application Area
Environmental
Environmental

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

Clinical diagnostic
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.

Metabolic Research
Metabolic Research

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

Montelukast-[d6]

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General Information
Catalog: BLP-012462
CAS: 1093746-29-2
Molecular Formula: C35H30D6ClNO3S
Molecular Weight: 592.24
Chemical Structure
Montelukast-[d6]
Description Montelukast-[d6] is the labelled analogue 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; 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
IUPAC Name 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]acetic acid
Related CAS 158966-92-8 (unlabelled)
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
InChI InChI=1S/C35H36ClNO3S/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)/b15-10+/t32-/m1/s1/i1D3,2D3
InChI Key UCHDWCPVSPXUMX-ZCAOFVIOSA-N
Boiling Point 750.5±60.0 °C at 760 mmHg
Melting Point >65°C (dec.)
Purity 95% by HPLC; 95% atom D
Density 1.3±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Light Yellow to Yellow Solid
Storage Store at -20°C, under inert atmosphere
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