Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C35H36ClNO3S |
| Molecular Weight | 586.183 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(O)C1=CC=CC=C1CC[C@H](SCC2(CC(O)=O)CC2)C3=CC=CC(\C=C\C4=CC=C5C=CC(Cl)=CC5=N4)=C3
InChI
InChIKey=UCHDWCPVSPXUMX-OYLFJNDKSA-N
InChI=1S/C35H36ClNO3S/c1-34(2,40)30-9-4-3-7-25(30)13-17-32(41-23-35(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-/m0/s1
| Molecular Formula | C35H36ClNO3S |
| Molecular Weight | 586.183 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
MONTELUKAST, (S)- is a Montelukast impurity A. Montelukast is a leukotriene receptor antagonist (LTRA) used for the maintenance treatment of asthma and to relieve symptoms of seasonal allergies. Montelukast sodium possesses one chiral carbon center, and a racemic form of montelukast sodium contains equal amounts of the two enantiomeric forms, i.e., the S and R optical isomers. The biologically active form of montelukast sodium is the R stereoisomer. Since the biological activity of the two enantiomers can be different, it is imperative that the amount of the S stereoisomer in the commercial product be controlled to within acceptable limits. The amount of the S optical isomer of montelukast should be lower than 0.15%
Originator
Sources: http://adisinsight.springer.com/drugs/800003621
Curator's Comment: # Merck & Co.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:56:00 GMT 2025
by
admin
on
Mon Mar 31 22:56:00 GMT 2025
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| Record UNII |
H28ST60VMZ
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| Record Status |
Validated (UNII)
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| Record Version |
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220927-27-5
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6540473
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DTXSID801349954
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H28ST60VMZ
Created by
admin on Mon Mar 31 22:56:00 GMT 2025 , Edited by admin on Mon Mar 31 22:56:00 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER |
MONTELUKAST, (S)- IS REGISTERED IN GSRS ALSO
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> IMPURITY |