N-Methyl 6-Oxo Naltrexone Bromide

Ref. TR-M320348

Product Information

• Name: N-Methyl 6-Oxo Naltrexone Bromide
• Synonyms: (3R,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-6,7-dione;bromide
• Brand: TRC
• Description: Applications N-Methyl 6-Oxo Naltrexone Bromide is an intermediate used in the synthesis of (4R,4aS,6S,6aR,11bS)-6-Carboxy-3-(cyclopropylmethyl)-1,2,3,4,4a,5,6,6a-octahydro-4a,6,8-trihydroxy-3-methyl-4,11-methanobenzofuro[3',2':2,3]cyclopenta[1,2-c]pyridinium Bromide (C176950), which is an impurity/degradation of N-methyl Naltrexone (M320350), a metabolite of Naltrexone (N285750).References Wall, M., et al.: Drug Metab. Dispos., 12, 677 (1984), Jones, D., et al.: .: Bioorg. Med. Chem., 13, 6727 ( 2005), Chen, T., et al.: Drugs Future, 32, 771 (2007); Chem. and Eng. News p.4 Jan. 23, (2017)

Chemical properties

• Molecular weight: 450.323
• Formula: C₂₁H₂₄NO₅·Br
• Color/Form: Neat
• InChI: InChI=1S/C21H23NO5.BrH/c1-22(10-11-2-3-11)7-6-20-16-12-4-5-13(23)18(16)27-19(20)17(25)14(24)9-21(20,26)15(22)8-12;/h4-5,11,15,19,26H,2-3,6-10H2,1H3;1H/t15-,19+,20+,21-,22-;/m1./s1
• SMILES: C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C(=O)C[C@@]3(O)[C@H]1C5.[Br-]