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. 2014 May 3;70(Pt 6):o635.
doi: 10.1107/S1600536814009672. eCollection 2014 Jun 1.

Buprenorphine

Jaroslaw Mazurek  1 , Marcel Hoffmann  1 , Anna Fernandez Casares  1 , Phillip D Cox  2 , Mathew D Minardi  3
Affiliations

Buprenorphine

Jaroslaw Mazurek et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the crystal structure of a semi-synthetic opioid drug buprenorphine, C29H41NO4 {systematic name: (2S)-2-[(5R,6R,7R,14S)-9α-cyclo-propyl-methyl-3-hy-droxy-6-meth-oxy-4,5-ep-oxy-6,14-ethano-morphinan-7-yl]-3,3-di-methyl-butan-2-ol}, the cyclo-propyl-methyl group is disordered over two sites with an occupancy factor of 0.611 (3) for the major component. One of the hy-droxy groups is involved in intra-molecular O-H⋯O hydrogen bond. The other hy-droxy group acts as a proton donor in an inter-molecular O-H⋯O inter-action that connects mol-ecules into a zigzag chain along the b axis.

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Figures

Fig. 1.
Fig. 1.
Molecular structure and atom numbering scheme for buprenorphine. Displacement ellipsoids are shown at the 50% probability level. The minor position of the disordered part has been omitted for clarity.
Fig. 2.
Fig. 2.
Crystal packing diagram - view along the a axis. Hydrogen bonds are shown as blue lines.
See this image and copyright information in PMC

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