Name: Montelukast-[d6] sodium salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-004803

CAS: 2673270-26-1

Molecular Formula: C35H29D6ClNO3S.Na

Molecular Weight: 614.20

Chemical Structure

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