3-Acetyl-6-Deoxy-6-Fluoronaltrexone
[CAS# 94696-53-4]

Identification

• Name: 3-Acetyl-6-Deoxy-6-Fluoronaltrexone
• Synonyms: 3-Acetyl-6-Deoxy-6-Fluoronaltrexone; 3-Acetylcyclofoxy
• Molecular Formula: C₂₂H₂₆FNO₄
• Molecular Weight: 387.45
• CAS Registry Number: 94696-53-4
• SMILES: [C@@H]25CC1=CC=C(C4=C1[C@@]3([C@]2(CC[C@H]([C@@H]3O4)F)O)CCN5CC6CC6)OC(C)=O
• InChI: 1S/C22H26FNO4/c1-12(25)27-16-5-4-14-10-17-22(26)7-6-15(23)20-21(22,18(14)19(16)28-20)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26H,2-3,6-11H2,1H3/t15-,17-,20+,21+,22-/m1/s1
• InChIKey: ZCCDUPABBHUDLO-VSHLJNTCSA-N