Montelukast Sulfone
[CAS# 1266620-74-9]

Identification

• Name: Montelukast Sulfone
• Synonyms: 2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfonylmethyl]cyclopropyl]acetic acid
• Molecular Formula: C₃₅H₃₆ClNO₅S
• Molecular Weight: 618.18
• CAS Registry Number: 1266620-74-9
• SMILES: CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)S(=O)(=O)CC5(CC5)CC(=O)O)O

Properties

• Density: 1.3±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.652, Calc.^*
• Boiling Point: 828.0±65.0 °C (760 mmHg), Calc.^*
• Flash Point: 454.5±34.3 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.