(5R,11aS)-2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
[CAS 869304-55-2]

Identification

• Name: (5R,11aS)-2-Benzyl-5-(3-hydroxyphenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
• Synonyms: Eg5 Inhibitor V, trans-24; Trans - 24
• Molecular Formula: C₂₆H₂₁N₃O₃
• Molecular Weight: 423.46
• CAS Registry Number: 869304-55-2
• SMILES: C1[C@H]2C(=O)N(C(=O)N2[C@@H](C3=C1C4=CC=CC=C4N3)C5=CC(=CC=C5)O)CC6=CC=CC=C6
• InChI: 1S/C26H21N3O3/c30-18-10-6-9-17(13-18)24-23-20(19-11-4-5-12-21(19)27-23)14-22-25(31)28(26(32)29(22)24)15-16-7-2-1-3-8-16/h1-13,22,24,27,30H,14-15H2/t22-,24+/m0/s1
• InChIKey: UOKINRKWPYVMSZ-LADGPHEKSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)
• Boiling point: 665.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 356.1±34.3°C (Cal.)
• Refractive index: 1.783 (Cal.)