2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol
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![2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e7bf22bf797d416ca6d047ce2185c174.png "2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol")
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol
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CAS No:
807638-71-7
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Formula:
C30H30ClNO4S
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Chemical Name:
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol
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Synonyms:
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol;Montelukast Impurity 35;Benzenepropanol, α-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-2-(1-hydroxy-1-methylethyl)-, α-methanesulfonate, (αS)-
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CAS No:
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol Basic Attributes
536.08
535.1584073
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(Methanesulfonyl)oxy]propyl]phenyl]-2-propanol Use and Manufacturing
2-[2-[(3S)-3-[3-[(E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[(methanesulfonyl)oxy]propyl]phenyl]-2-propanol is an intermediate in the synthesis of Montelukast (M568000), a selective leukotriene D4-receptor antagonist used as an antiasthmatic agent.
Computed Properties
Molecular Weight:536.1
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:9
Exact Mass:535.1584073
Monoisotopic Mass:535.1584073
Topological Polar Surface Area:84.9
Heavy Atom Count:37
Complexity:856
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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