Skip to main content Accessibility help
×
Home

Powder X-ray diffraction of bendamustine hydrochloride monohydrate, C16H22Cl2N3O2Cl·H2O

  • J. A. Kaduk (a1), K. Zhong (a2), T. N. Blanton (a2), S. Gates-Rector (a2) and T. G. Fawcett (a2)...

Extract

Bendamustine hydrochloride monohydrate (marketed as Treanda®) is a nitrogen mustard purine analog alkylator used in the treatment of chronic lymphocytic leukemia (CLL) and non-Hodgkin lymphomas. Commercial bendamustine hydrochloride monohydrate crystallizes in the monoclinic space group P21/c (14), with a = 4.71348(4) Å, b = 47.5325(3) Å, c = 8.97458 (5) Å, β = 96.6515(8)°, V = 1997.161(23) Å3, and Z = 4. A reduced cell search in the Cambridge Structural Database yielded a previously reported crystal structure (Allen, 2002), which did not include hydrogens (Reck, 2006). In this work, the sample was ordered from Santa Cruz Biotechnology, and analyzed as received. The room-temperature crystal structure was refined using synchrotron (λ = 0.413896 Å) powder diffraction data, density functional theory (DFT), and Rietveld refinement techniques. Hydrogen positions were included as part of the structure, and recalculated during the refinement. The diffraction data were collected on beamline BM-11 at the Advanced Photon Source, Argonne National Laboratory. Figure 1 shows the powder X-ray diffraction pattern of the compound. The pattern is included in the Powder Diffraction File as entry 00-064-1508.

Copyright

Corresponding author

a)Author to whom correspondence should be addressed. Electronic mail: tblanton@icdd.com

References

Hide All
Allen, F. H. (2002). The Cambridge Structural Database: a quarter of a million crystal structures and rising, Acta Cryst. Sect. B: Struct. Sci. 58, 380388. CSD Refcode NEQGUM.
Reck, G. (2006) (Federal Institute of Materials and Research Testing, Berlin). Private communication.

Keywords

Type Description Title
UNKNOWN
Supplementary materials

Kaduk et al. supplementary material
Kaduk et al. supplementary material 1

 Unknown (2.0 MB)
2.0 MB

Powder X-ray diffraction of bendamustine hydrochloride monohydrate, C16H22Cl2N3O2Cl·H2O

  • J. A. Kaduk (a1), K. Zhong (a2), T. N. Blanton (a2), S. Gates-Rector (a2) and T. G. Fawcett (a2)...

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed