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Alpha-Hydroxy Montelukast

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For Research Use Only | Not For Clinical Use
CATAPS2045402273
CAS2045402-27-3
Structure
SynonymsMontelukast Sodium Imp. I (EP), Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-α-hydroxy-
IUPAC Name2-[1-[[(1R)-1-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]-2-hydroxyacetic acid
Molecular Weight602.18
Molecular FormulaC35H36ClNO4S
Canonical SMILESCC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)C(O)C(=O)O)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3
InChIInChI=1S/C35H36ClNO4S/c1-34(2,41)29-9-4-3-7-24(29)13-17-31(42-22-35(18-19-35)32(38)33(39)40)26-8-5-6-23(20-26)10-15-28-16-12-25-11-14-27(36)21-30(25)37-28/h3-12,14-16,20-21,31-32,38,41H,13,17-19,22H2,1-2H3,(H,39,40)/b15-10+/t31-,32?/m1/s1
Accurate Mass601.2054
FormatNeat
SubcategoryImpurity standards
TypeImpurity
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