2-Bromo-N-(4-{2-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-10-yl]ethyl}phenyl)acetamide
[CAS# 88467-32-7]

Identification

• Name: 2-Bromo-N-(4-{2-[(1R,9R,13R)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.0^2,7]trideca-2,4,6-trien-10-yl]ethyl}phenyl)acetamide
• Synonyms: 2-(2-(4-Bromoacetamidophenyl)ethyl)-5,9 α-dimethyl-2'-hydroxy-6,7-benzomorphan; Acetamide, 2-bromo-N-(4-(2-(1,4,5,6-tetrahydro-8-hydroxy-6,11-dimethyl-2,6-methano-3-benzazocin-3(2H)-yl)ethyl)phenyl)-, (2R-(2α,6α,11R*))-; Bab benzomorphan
• Molecular Formula: C₂₄H₂₉BrN₂O₂
• Molecular Weight: 457.40
• CAS Registry Number: 88467-32-7
• SMILES: BrCC(=O)Nc1ccc(cc1)CCN4[C@@H]3Cc2c(cc(O)cc2)[C@@]([C@H]3C)(CC4)C
• InChI: 1S/C24H29BrN2O2/c1-16-22-13-18-5-8-20(28)14-21(18)24(16,2)10-12-27(22)11-9-17-3-6-19(7-4-17)26-23(29)15-25/h3-8,14,16,22,28H,9-13,15H2,1-2H3,(H,26,29)/t16-,22+,24+/m0/s1
• InChIKey: YMQJITXAROYXIT-XTZPKPCCSA-N

Properties

• Density: 1.348g/cm³ (Cal.)
• Boiling point: 612.691°C at 760 mmHg (Cal.)
• Flash point: 324.344°C (Cal.)