Israpafant
[CAS# 117279-73-9]

Identification

• Name: Israpafant
• Synonyms: 4-(2-Chlorophenyl)-6,9-Dimethyl-2-{2-[4-(2-Methylpropyl)Phenyl]Ethyl}-6H-Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepine; 4-(2-Chlorophenyl)-2-(2-(4-Isobutylphenyl)Ethyl)-6,9-Dimethyl-6H-Thieno(3,2-F)(1,2,4)Triazolo(4,3-A)(1,4)Diazepine; 6H-Thieno(3,2-F)(1,2,4)Triazolo(4,3-A)(1,4)Diazepine, 4-(2-Chlorophenyl)-6,9-Dimethyl-2-(2-(4-(2-Methylpropyl)Phenyl)Ethyl)-
• Molecular Formula: C₂₈H₂₉ClN₄S
• Molecular Weight: 489.08
• CAS Registry Number: 117279-73-9
• SMILES: C1=C(SC2=C1C(=NC(C3=NN=C([N]23)C)C)C4=CC=CC=C4Cl)CCC5=CC=C(CC(C)C)C=C5
• InChI: 1S/C28H29ClN4S/c1-17(2)15-21-11-9-20(10-12-21)13-14-22-16-24-26(23-7-5-6-8-25(23)29)30-18(3)27-32-31-19(4)33(27)28(24)34-22/h5-12,16-18H,13-15H2,1-4H3
• InChIKey: RMSWMRJVUJSDGN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 637.3±65.0°C at 760 mmHg (Cal.)
• Flash point: 339.2±34.3°C (Cal.)