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Bepostastine besylate.

Jacob K Salazar¹, James A Kaduk^2,3, Anja Dosen⁴

¹North Central College, Department of Chemistry 131 S Loomis St Naperville IL 60540 USA.

|May 8, 2026

Summary

This summary is machine-generated.

The crystal structure of bepotastine besylate was determined using synchrotron X-ray powder diffraction and DFT methods. Hydrogen bonds link the molecules into chains along the c-axis.

Keywords:

DFT Rietveld refinement bepotastine bepreve density functional theory powder diffraction

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Area of Science:

Crystallography
Solid-state chemistry
Computational chemistry

Background:

Bepotastine besylate is an antihistamine used to treat allergic conditions.
Understanding its crystal structure is crucial for pharmaceutical development and formulation.

Purpose of the Study:

To determine the precise crystal structure of bepotastine besylate.
To elucidate the intermolecular interactions governing its solid-state arrangement.

Main Methods:

Synchrotron X-ray powder diffraction (XRPD) was employed for data collection.
Density Functional Theory (DFT) was used for structural optimization.
Analysis of hydrogen bonding networks and crystal packing.

Main Results:

Bepotastine besylate crystallizes in the triclinic space group P1.
The unit cell parameters were determined as a = 8.0153 Å, b = 9.8211 Å, c = 10.2345 Å, with angles α = 88.164°, β = 68.962°, γ = 65.8917°.
N-H···O and O-H···O hydrogen bonds form chains parallel to the c-axis, with a graph set C(2)2(11).

Conclusions:

The study provides a detailed atomic-level understanding of bepotastine besylate's crystal structure.
The identified hydrogen bonding patterns are key to its solid-state stability and properties.
This structural information can guide the development of improved pharmaceutical formulations.