Ambasilide
[CAS# 83991-25-7]

Identification

• Name: Ambasilide
• Synonyms: (4-Aminophenyl)-[7-(Benzyl)-3,7-Diazabicyclo[3.3.1]Nonan-3-Yl]Methanone; Ambasilide; Ambasilide [Inn]
• Molecular Formula: C₂₁H₂₅N₃O
• Molecular Weight: 335.45
• CAS Registry Number: 83991-25-7
• SMILES: C4=C(C(N2CC3CN(CC1=CC=CC=C1)CC(C2)C3)=O)C=CC(=C4)N
• InChI: 1S/C21H25N3O/c22-20-8-6-19(7-9-20)21(25)24-14-17-10-18(15-24)13-23(12-17)11-16-4-2-1-3-5-16/h1-9,17-18H,10-15,22H2
• InChIKey: DLNAKYFPFYUBDR-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 531.629°C at 760 mmHg (Cal.)
• Flash point: 275.319°C (Cal.)

References

• (1): William Bains, Antranig Basman and Cat White. hERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study, Progress in Biophysics and Molecular Biology 2004, 86 (2), 205-233