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Montelukast Sulfone

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For Research Use Only | Not For Clinical Use
CATAPS1266620749
CAS1266620-74-9
Structure
SynonymsMontelukast Sulfone,1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]sulfonyl]methyl]cyclopropaneacetic Acid
IUPAC Name2-[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 Weight618.18
Molecular FormulaC35H36ClNO5S
Canonical SMILESCC(C)(O)c1ccccc1CC[C@H](c2cccc(\C=C\c3ccc4ccc(Cl)cc4n3)c2)S(=O)(=O)CC5(CC(=O)O)CC5
InChIInChI=1S/C35H36ClNO5S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(43(41,42)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
Accurate Mass617.2003
FormatNeat
SubcategoryImpurity standards
TypeImpurity
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