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Crystal structure and solid-state properties of 3,4-diaminopyridine dihydrogen phosphate and their comparison with other diaminopyridine salts
Mahe, N.; Nicolaï, B.; Allouchi, Hassan; Barrio Casado, María del; Do, Bernat; Céolin, René; Tamarit Mur, José Luis; Rietveld, Ivo B.
Universitat Politècnica de Catalunya. Departament de Física i Enginyeria Nuclear; Universitat Politècnica de Catalunya. GCM - Grup de Caracterització de Materials
3,4-Diaminopyridine is an active pharmaceutical ingredient for the treatment of Lambert−Eaton myasthenic syndrome (LEMS). It is 3,4-diaminopyridine dihydrogen phosphate that has become the active ingredient of choice. As part of a larger study for the development of this drug, solid-state studies have been carried out. At room temperature, the crystals are monoclinic (C2/c). Dihydrogen phosphate anions H2PO4 − form infinite chains parallel to the b axis, and these chains can be considered as macroanions (H2PO4)∞. The organic cations form hydrogen bonds with the macroanions bridging them together. A negative thermal expansion is observed along the [103] direction in the crystal, which coincides with the direction of chains of interchanging anions and cations. The crystal packing shows similarities with the hydrogen tartrate salt as illustrated by a Hirshfeld surface analysis. This phosphate and this tartrate salt are also the two diaminopyridine salts that have been selected for therapeutic use because of their appropriate physical properties.
Àrees temàtiques de la UPC::Enginyeria química::Química orgànica::Compostos orgànics
Àrees temàtiques de la UPC::Ciències de la salut::Medicina::Farmacologia
Hydrogen bonding
Química orgànica física
Farmacologia humana
Attribution-NonCommercial-NoDerivs 3.0 Spain

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