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1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone

1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone structure

CAS No:
1258428-71-5
Formula:
C29H26ClNO2
Chemical Name:
1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone
Synonyms:
Montelukast Ketone Impurity;Montelukast impurity 10/Montelukast Ketone Impurity/1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone;Montelukast Related Impurity 1;Montelukast Related Impuirty 1;(E)-1-(3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propan-1-one;Montelukast Sodium Impurity A;Montelukast Ketone Impurity (USP);1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone

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1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone Basic Attributes

Molecular Weight：

455.98

Exact Mass：

455.1652068

Characteristics

Density：

1.237±0.06 g/cm3

Boiling Point：

651.5±55.0 °C(Predicted)

PKA：

14.46±0.29

1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone Use and Manufacturing

1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]-1-propanone is an impurity of Montelukast (M568000), a selective leukotriene D4-receptor antagonist that is used as an antiasthmatic.

Computed Properties

Molecular Weight:456.0
XLogP3:6.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:455.1652068
Monoisotopic Mass:455.1652068
Topological Polar Surface Area:50.2
Heavy Atom Count:33
Complexity:677
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]-1-propanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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