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CAS 577953-88-9

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Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)

Description:
Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, compd. with N-cyclohexylcyclohexanamine (1:1), identified by CAS number 577953-88-9, is a complex organic compound characterized by its unique structural features. This substance contains a cyclopropane ring, which contributes to its strain and reactivity, along with an acetic acid functional group that may impart acidic properties. The presence of multiple aromatic rings and substituents, including a chloroquinoline moiety, suggests potential biological activity, possibly influencing its pharmacological properties. The compound's formulation as a salt with N-cyclohexylcyclohexanamine indicates a potential for enhanced solubility and stability. Its intricate structure may lead to interesting interactions in biological systems, making it a candidate for research in medicinal chemistry. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C35H36ClNO3S·C12H23N
InChI:InChI=1S/C35H36ClNO3S.C12H23N/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;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-12,14-16,20-21,32,40H,13,17-19,22-23H2,1-2H3,(H,38,39);11-13H,1-10H2/b15-10+;/t32-;/m1./s1
InChI key:InChIKey=ZLOLVGQQYDQBMP-HKHDRNBDSA-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.N(C1CCCCC1)C2CCCCC2
Synonyms:
  • 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 dicyclohexylamine salt
  • Cyclopropaneacetic acid, 1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)
  • DCHA Salt, Montelukast dicyclohexylamine Salt
  • Montelukast dicyclohexylamine salt
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