Montelukast Ethyl Ester

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CATAPS1044705965
CAS1044705-96-5
Structure
Synonyms1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-cyclopropaneacetic acid ethyl ester,Montelukast Ethyl Ester
IUPAC Nameethyl 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 Weight614.24
Molecular FormulaC37H40ClNO3S
Canonical SMILESCCOC(=O)CC1(CS[C@H](CCc2ccccc2C(C)(C)O)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)CC1
InChIInChI=1S/C37H40ClNO3S/c1-4-42-35(40)24-37(20-21-37)25-43-34(19-15-27-9-5-6-11-32(27)36(2,3)41)29-10-7-8-26(22-29)12-17-31-18-14-28-13-16-30(38)23-33(28)39-31/h5-14,16-18,22-23,34,41H,4,15,19-21,24-25H2,1-3H3/b17-12+/t34-/m1/s1
Accurate Mass613.2417
API FamilyMatrix - API Family Montelukast Sodium
FormatNeat
Product TypeImpurity
ShippingRoom Temperature
Storage Conditions+5°C
SubcategoryMikromol, Impurity standards, Respiratory drugs
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