Ablukast
[CAS# 96566-25-5]

Identification

• Name: Ablukast
• Synonyms: 6-Acetyl-7-[5-(4-Acetyl-3-Hydroxy-2-Propyl-Phenoxy)Pentoxy]Chroman-2-Carboxylic Acid; 6-Acetyl-7-[5-(4-Acetyl-3-Hydroxy-2-Propylphenoxy)Pentoxy]-2-Chromancarboxylic Acid; 6-Ethanoyl-7-[5-(4-Ethanoyl-3-Hydroxy-2-Propyl-Phenoxy)Pentoxy]Chroman-2-Carboxylic Ac
• Molecular Formula: C₂₈H₃₄O₈
• Molecular Weight: 498.57
• CAS Registry Number: 96566-25-5
• SMILES: C1=C(C(C)=O)C(=CC2=C1CCC(O2)C(O)=O)OCCCCCOC3=C(C(=C(C(C)=O)C=C3)O)CCC
• InChI: 1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)
• InChIKey: FGGYJWZYDAROFF-UHFFFAOYSA-N

Properties

• Density: 1.22g/cm³ (Cal.)
• Boiling point: 730.772°C at 760 mmHg (Cal.)
• Flash point: 240.942°C (Cal.)