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Montelukast for peak identification

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For Research Use Only | Not For Clinical Use
CATAPS151767021B
CAS151767-02-1
Structure
Synonyms[R-(E)]-1-[[[1-[3-[2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropaneacetic acid monosodium salt,Montelukast Sodium, 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropaneacetic acid monosodium salt, Montelukast monosodium salt, Singulair, MK 476, Sodium montelukast
IUPAC Namesodium;2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetate
Molecular Weight608.17
Molecular FormulaC35H35ClNO3S.Na
Canonical SMILES[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC(=O)[O-])CC2)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
InChIInChI=1S/C35H36ClNO3S.Na/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
Accurate Mass607.1924
API FamilyMatrix - API Family See respective official monograph(s)
FormatMixture
ShippingRoom Temperature
Storage Conditions2-8°C Fridge/Coldroom
SubcategoryEuropean Pharmacopoeia (Ph. Eur.)
TypeOther
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