ChemicalBook--->CAS DataBase List--->1187586-61-3

1187586-61-3

1187586-61-3 Structure

1187586-61-3 Structure
IdentificationBack Directory
[Name]

Montelukast Bis-sulfide (Mixture of Diastereomers)
[CAS]

1187586-61-3
[Synonyms]

Montelukast Bis-sulfide
Montelukast Impurity DE
MichaelAdduct(R,R)-Isomer
Montelukast Impurity 5
Montelukast sodium impurity D
(R,R)-Montelukast Bis-sulfide
Montelukast Sodium EP impurity D
Montelukast USP Related Compound C
USP Montelukast Related Compound C
(R,R)-Montelukast Bis-sulfide (~90%)
Montelukast Impurity 4(EP Impurity D)
Montelukast Michael Adduct R,R-IsoMer
Montelukast Impurity 4(Montelukast EP Impurity D)
Montelukast Bis-sulfide (Mixture of Diastereomers)
Montelukast Michael Adducts (mixture of diastereomers)
Montelukast EP Impurity D ( Montelukast USP Related Compound C)
2-(1-((((R)-1-(3-((R)-1-(((1-(carboxymethyl)cyclopropyl)methyl)thio)-2-(7-chloroquinolin-2-yl)ethyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propyl)thio)methyl)cyclopropyl)acetic acid
1-[[[(1R)-1-[3-[(1R)-1-[[[1-(CarboxyMethyl)cyclopropyl]Methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-Methylethyl)phenyl]propyl]thio]Methyl]-cyclopropaneacetic Acid
Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1R)-1-[[[1-(carboxymethyl)cyclopropyl]methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-
Montelukast impurity 4/Montelukast EP Impurity D/Montelukast R,R-Isomer/Montelukast Michael Adduct/1-[[[(1R)-1-[3-[(1R)-1-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]
Montelukast impurity 4/Montelukast EP Impurity D/Montelukast R,R-Isomer/Montelukast Michael Adduct/1-[[[(1R)-1-[3-[(1R)-1-[[[1-(Carboxymethyl)cyclopropyl]methyl]thio]-2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropaneacetic acid
[Molecular Formula]

C41H46ClNO5S2
[MDL Number]

MFCD21363698
[MOL File]

1187586-61-3.mol
[Molecular Weight]

732.39
Chemical PropertiesBack Directory
[Melting point ]

53-60°C
[Boiling point ]

856.9±65.0 °C(Predicted)
[density ]

1.302±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

4.76±0.10(Predicted)
[color ]

Light Yellow to Yellow
[InChIKey]

SJNODSMYYCYZTO-LQFQNGICSA-N
[SMILES]

C1(CS[C@@H](C2=CC=CC([C@H](SCC3(CC(O)=O)CC3)CC3C=CC4C(N=3)=CC(Cl)=CC=4)=C2)CCC2=CC=CC=C2C(O)(C)C)(CC(O)=O)CC1
Hazard InformationBack Directory
[Chemical Properties]

Pale Yellow Solid
[Uses]

Montelukast impurity.
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