(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide

(3R,4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium bromide

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The title compound, C21H26NO4+·Br−, also known as R-methylnaltrexone (MNTX) bromide, is a selective peripherally 9x11 pergola acting μ-opioid receptor antagonist with a oroxymorphone skeleton, synthesized by hydroxyl protection, N-methylation, deprotection and anion exchange of naltrexone.It comprises a five-ring system A/B/C/D/E.Rings C and E adopt distorted chair conformations, whereas ring D is in half-chair conformation.

The C/E ring junctions are trans fused.The dihedral angle between rings D and E is 82.3 (1)°, while the dihedral angles between the planes of rings C and A, and rings D and remtavares.com E are respectively 81.

7 (1), 75.9 (1) and 12.2 (1)°.

In the crystal, molecules are linked by O—H.Br hydrogen bonds.