(5alpha)-(5'alpha)-17,17'-Bis(Cyclopropylmethyl)-4,5:4',5'-Diepoxy-6,6'-Bis(Methylene)-(2,2'-Bimorphinan)-3,3',14,14'-Tetrol
[CAS# 176220-84-1]

Identification

• Name: (5alpha)-(5'alpha)-17,17'-Bis(Cyclopropylmethyl)-4,5:4',5'-Diepoxy-6,6'-Bis(Methylene)-(2,2'-Bimorphinan)-3,3',14,14'-Tetrol
• Synonyms: 2,2'-Bis(6-Deoxo-6-Methylenenaltrexone); 2,2'-Bisnalmefene
• Molecular Formula: C₄₂H₄₈N₂O₆
• Molecular Weight: 676.85
• CAS Registry Number: 176220-84-1
• SMILES: [C@]13%11[C@]%12(O)[C@H](N(CC1)CC2CC2)CC4=C3C(=C(O)C(=C4)C%10=CC7=C9[C@@]58[C@](O)([C@H](N(CC5)CC6CC6)C7)CCC([C@@H]8OC9=C%10O)=C)O[C@H]%11C(CC%12)=C
• InChI: 1S/C42H48N2O6/c1-21-7-9-41(47)29-17-25-15-27(33(45)35-31(25)39(41,37(21)49-35)11-13-43(29)19-23-3-4-23)28-16-26-18-30-42(48)10-8-22(2)38-40(42,32(26)36(50-38)34(28)46)12-14-44(30)20-24-5-6-24/h15-16,23-24,29-30,37-38,45-48H,1-14,17-20H2/t29-,30-,37+,38+,39+,40+,41-,42-/m1/s1
• InChIKey: DEKUTJDLMXTWRE-CVQRZJKKSA-N

Properties

• Density: 1.494g/cm³ (Cal.)