beta-Funaltrexamine
[CAS# 72782-05-9]

Identification

• Name: beta-Funaltrexamine
• Synonyms: Beta-Funaltrexamine; Pdsp2_001549; Pdsp2_000394
• Molecular Formula: C₂₅H₃₀N₂O₆
• Molecular Weight: 454.52
• CAS Registry Number: 72782-05-9
• SMILES: [C@]135[C@H]6OC2=C(O)C=CC(=C12)C[C@@H](N(CC3)CC4CC4)[C@]5(O)CC[C@H]6NC(=O)\C=C\C(OC)=O
• InChI: 1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1
• InChIKey: PQKHESYTSKMWFP-WZJCLRDWSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 695.18°C at 760 mmHg (Cal.)
• Flash point: 374.232°C (Cal.)