{1-[({(1R,3R)-1-{3-[(E)-2-(7-Chloro-2-Quinolinyl)Vinyl]Phenyl}-3-Hydroxy-3-[2-(2-Hydroxy-2-Propanyl)Phenyl]Propyl}Sulfanyl)Methyl]Cyclopropyl}Acetic Acid
[CAS# 184763-29-9]

Identification

• Name: {1-[({(1R,3R)-1-{3-[(E)-2-(7-Chloro-2-Quinolinyl)Vinyl]Phenyl}-3-Hydroxy-3-[2-(2-Hydroxy-2-Propanyl)Phenyl]Propyl}Sulfanyl)Methyl]Cyclopropyl}Acetic Acid
• Synonyms: 21(R)-Hydroxy Montelukast; 21(S)-Hydroxy Montelukast
• Molecular Formula: C₃₅H₃₆ClNO₄S
• Molecular Weight: 602.18
• CAS Registry Number: 184763-29-9
• SMILES: O=C(O)CC1(CC1)CS[C@@H](c2cccc(c2)\C=C\c3nc4cc(Cl)ccc4cc3)C[C@@H](O)c5ccccc5C(O)(C)C
• InChI: 1S/C35H36ClNO4S/c1-34(2,41)29-9-4-3-8-28(29)31(38)20-32(42-22-35(16-17-35)21-33(39)40)25-7-5-6-23(18-25)10-14-27-15-12-24-11-13-26(36)19-30(24)37-27/h3-15,18-19,31-32,38,41H,16-17,20-22H2,1-2H3,(H,39,40)/b14-10+/t31-,32-/m1/s1
• InChIKey: CHRNGXJVKOMERP-FPUIOERCSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 787.834°C at 760 mmHg (Cal.)
• Flash point: 430.267°C (Cal.)
• Refractive index: 1.689 (Cal.)