Tilivalline
[CAS# 80279-24-9]

Identification

• Name: Tilivalline
• Synonyms: Tilivalline; 5H-Pyrrolo(2,1-C)(1,4)Benzodiazepin-5-One, 1,2,3,10,11,11A-Hexahydro-9-Hydroxy-11(1H-Indol-3-Yl)-, (11S-Cis)-; Epitilivalline
• Molecular Formula: C₂₀H₁₉N₃O₂
• Molecular Weight: 333.39
• CAS Registry Number: 80279-24-9
• SMILES: [C@H]4(C1=C[NH]C2=C1C=CC=C2)[C@H]5N(C(C3=CC=CC(=C3N4)O)=O)CCC5
• InChI: 1S/C20H19N3O2/c24-17-9-3-6-13-19(17)22-18(16-8-4-10-23(16)20(13)25)14-11-21-15-7-2-1-5-12(14)15/h1-3,5-7,9,11,16,18,21-22,24H,4,8,10H2/t16-,18-/m0/s1
• InChIKey: AJZNARCWDDMOPL-WMZOPIPTSA-N

Properties

• Density: 1.432g/cm³ (Cal.)
• Boiling point: 649.894°C at 760 mmHg (Cal.)
• Flash point: 346.843°C (Cal.)