Montelukast

CAS Registry Number®

158966-92-8
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CAS Name

Montelukast

Molecular Formula

C35H36ClNO3S

Molecular Mass

586.18

Cite this Page

Montelukast.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=158966-92-8 (retrieved 2024-05-20) (CAS RN: 158966-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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-/m1/s1

InChIKey

InChIKey=UCHDWCPVSPXUMX-TZIWLTJVSA-N

SMILES

C(S[C@H](CCC1=C(C(C)(C)O)C=CC=C1)C2=CC(/C=C/C3=NC4=C(C=C3)C=CC(Cl)=C4)=CC=C2)C5(CC(O)=O)CC5

Canonical SMILES

O=C(O)CC1(CSC(C=2C=CC=C(C=CC=3N=C4C=C(Cl)C=CC4=CC3)C2)CCC=5C=CC=CC5C(O)(C)C)CC1

Other Names for this Substance

  • Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-
  • Cyclopropaneacetic acid, 1-[[[1-[3-[2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, [R-(E)]-
  • 1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropaneacetic acid
  • Montelukast
  • 2-[1-[[[(1R)-1-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]cyclopropyl]acetic acid

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