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Home >> Chemical Listing >> Page 765 >> {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

{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# 184763-26-6]

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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
Molecular Structure CAS#: 184763-26-6, {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
Molecular Formula C35H36ClNO4S
Molecular Weight 602.18
CAS Registry Number 184763-26-6
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.)
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