Montelukast-d6

Base Information

• Chemical Name: Montelukast-d6
• CAS No.: 1093746-29-2
• Molecular Formula: C35H36ClNO3S
• Molecular Weight: 592.2
• Mol file: 1093746-29-2.mol

Synonyms:Montelukast-d6;1093746-29-2;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;HY-13315S;CS-0254580

Chemical Property of Montelukast-d6

Chemical Property:

• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 591.2481034
• Heavy Atom Count: 41
• Complexity: 891

Purity/Quality:

95% by HPLC; 95% atom D ^*data from raw suppliers

Montelukast-d6 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• 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
• Isomeric SMILES: [2H]C([2H])([2H])C(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)O)(C([2H])([2H])[2H])O
• Uses: Montelukast-d6 can be intended for use as an internal standard for the quantification of Montelukast by GC- or LC-mass spectrometry. Montelukast-d6, is the labeled analogue of Montelukast (M568000), a selective leukotriene D4-receptor antagonist. Used as an antiasthmatic.

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