Sulukast
[CAS# 98116-53-1]

Identification

• Name: Sulukast
• Synonyms: 3-[(1R,2E,4Z)-1-[(S)-Hydroxy-[3-(2H-Tetrazol-5-Yl)Phenyl]Methyl]Tetradeca-2,4-Dienyl]Sulfanylpropanoic Acid; 3-[[(1R,2E,4Z)-1-[(S)-Hydroxy-[3-(2H-Tetrazol-5-Yl)Phenyl]Methyl]Tetradeca-2,4-Dienyl]Thio]Propanoic Acid; 3-[[(1R,2E,4Z)-1-[(S)-Hydroxy-[3-(2H-Tetr
• Molecular Formula: C₂₅H₃₆N₄O₃S
• Molecular Weight: 472.64
• CAS Registry Number: 98116-53-1
• SMILES: [C@H](C1=CC=CC(=C1)C2=N[NH]N=N2)([C@@H](\C=C\C=C/CCCCCCCCC)SCCC(O)=O)O
• InChI: 1S/C25H36N4O3S/c1-2-3-4-5-6-7-8-9-10-11-12-16-22(33-18-17-23(30)31)24(32)20-14-13-15-21(19-20)25-26-28-29-27-25/h10-16,19,22,24,32H,2-9,17-18H2,1H3,(H,30,31)(H,26,27,28,29)/b11-10-,16-12+/t22-,24+/m1/s1
• InChIKey: YPHOSUPSOWQQCB-AFOLHBCXSA-N

Properties

• Density: 1.17g/cm³ (Cal.)
• Boiling point: 703.897°C at 760 mmHg (Cal.)
• Flash point: 379.504°C (Cal.)