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General Information
Catalog: BLP-012462
CAS: 1093746-29-2
Molecular Formula: C35H30D6ClNO3S
Molecular Weight: 592.24
Chemical Structure
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
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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