Cinalukast
[CAS 128312-51-6]

Identification

• Name: Cinalukast
• Synonyms: 4-[[3-[(E)-2-(4-Cyclobutylthiazol-2-Yl)Vinyl]Phenyl]Amino]-2,2-Diethyl-4-Oxo-Butanoic Acid; 4-[[3-[(E)-2-(4-Cyclobutyl-2-Thiazolyl)Vinyl]Phenyl]Amino]-2,2-Diethyl-4-Oxobutanoic Acid; 4-[[3-[(E)-2-(4-Cyclobutylthiazol-2-Yl)Vinyl]Phenyl]Amino]-2,2-Diethyl-4-Keto-Butyric Acid
• Molecular Formula: C₂₃H₂₈N₂O₃S
• Molecular Weight: 412.55
• CAS Registry Number: 128312-51-6
• SMILES: C3=C(C1CCC1)N=C(\C=C\C2=CC(=CC=C2)NC(CC(C(O)=O)(CC)CC)=O)S3
• InChI: 1S/C23H28N2O3S/c1-3-23(4-2,22(27)28)14-20(26)24-18-10-5-7-16(13-18)11-12-21-25-19(15-29-21)17-8-6-9-17/h5,7,10-13,15,17H,3-4,6,8-9,14H2,1-2H3,(H,24,26)(H,27,28)/b12-11+
• InChIKey: BZMKNPGKXJAIDV-VAWYXSNFSA-N

Properties

• Density: 1.258g/cm³ (Cal.)
• solubility: Soluble to 10 mM in ethanol and to 100 mM in DMSO