Nabazenil
[CAS# 58019-65-1]

Identification

• Name: Nabazenil
• Synonyms: [3-(1,2-Dimethylheptyl)-6,6,9-Trimethyl-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] 4-(Azepan-1-Yl)Butanoate; 4-(1-Azepanyl)Butanoic Acid [3-(1,2-Dimethylheptyl)-6,6,9-Trimethyl-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] Ester; 4-(Azepan-1-Yl)Butyric Acid [3-(1,2-Dimethylheptyl)-6,6,9-Trimethyl-7,8,9,10-Tetrahydrobenzo[C]Chromen-1-Yl] Ester
• Molecular Formula: C₃₅H₅₅NO₃
• Molecular Weight: 537.82
• CAS Registry Number: 58019-65-1
• SMILES: C1=C(C(C(CCCCC)C)C)C=C(C2=C1OC(C3=C2CC(C)CC3)(C)C)OC(CCCN4CCCCCC4)=O
• InChI: 1S/C35H55NO3/c1-7-8-11-15-26(3)27(4)28-23-31(38-33(37)16-14-21-36-19-12-9-10-13-20-36)34-29-22-25(2)17-18-30(29)35(5,6)39-32(34)24-28/h23-27H,7-22H2,1-6H3
• InChIKey: DRVZFWZGQKGHQO-UHFFFAOYSA-N

Properties

• Density: 1.046g/cm³ (Cal.)
• Boiling point: 624.009°C at 760 mmHg (Cal.)
• Flash point: 331.189°C (Cal.)