(5alpha)-17-(Cyclopropylmethyl)-2-[(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one
[CAS# 607732-61-6]

Identification

• Name: (5alpha)-17-(Cyclopropylmethyl)-2-[(5alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-6-oxo-4,5-epoxymorphinan-2-yl]-3,14-dihydroxy-4,5-epoxymorphinan-6-one
• Synonyms: 2,2'-Bisnaltrexone
• Molecular Formula: C₄₀H₄₄N₂O₈
• Molecular Weight: 680.79
• CAS Registry Number: 607732-61-6
• SMILES: c1c2c3c(c(c1c4cc5c6c(c4O)O[C@@H]7[C@]68CCN(C(C5)[C@@]8(CCC7=O)O)CC9CC9)O)O[C@@H]1[C@]33CCN([C@H](C2)[C@@]3(CCC1=O)O)CC1CC1
• InChI: 1S/C40H44N2O8/c43-25-5-7-39(47)27-15-21-13-23(31(45)33-29(21)37(39,35(25)49-33)9-11-41(27)17-19-1-2-19)24-14-22-16-28-40(48)8-6-26(44)36-38(40,30(22)34(50-36)32(24)46)10-12-42(28)18-20-3-4-20/h13-14,19-20,27-28,35-36,45-48H,1-12,15-18H2/t27-,28?,35+,36+,37+,38+,39-,40-/m1/s1
• InChIKey: NGSAYZAPVYNVHK-ALNMDLHWSA-N

Properties

• Density: 1.606g/cm³ (Cal.)
• Refractive index: 1.782 (Cal.)