Hostname: page-component-78c5997874-t5tsf Total loading time: 0 Render date: 2024-11-10T15:55:49.919Z Has data issue: false hasContentIssue false
  • English
  • Français

X-ray powder diffraction data for eluxadoline nitrate monohydrate, C32H35N5O5⋅2HNO3⋅H2O

Published online by Cambridge University Press:  17 September 2020

Xin Wei ,
Zi Li Suo ,
Man Zhang ,
Pei Xiao Tang  and
Hui Li Open the ORCID record for Hui Li [Opens in a new window]
Xin Wei
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu610065, China
Zi Li Suo
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu610065, China
Man Zhang
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu610065, China
Pei Xiao Tang
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu610065, China
Hui Li*
Affiliation:
School of Chemical Engineering, Sichuan University, Chengdu610065, China
*
Author to whom correspondence should be addressed. Electronic mail: lihuilab@sina.com
Get access Rights & Permissions [Opens in a new window]

Abstract

Single-crystal and powder X-ray diffraction data, collected at room temperature, unit-cell parameters and space group for eluxadoline nitrate monohydrate, C32H35N5O5⋅2HNO3⋅H2O, are reported [a = 11.066(5) Å, b = 13.452(6) Å, c = 24.373(9) Å, unit-cell volume V = 3628.15 Å3, Z = 4, ρcal = 1.344 g⋅cm−3, and space group P212121]. All the diffraction peaks in the experimental pattern have been indexed and are consistent with the P212121 space group.

Keywords

X-ray powder diffractioneluxadoline nitrate monohydrate
Type
New Diffraction Data
Information
Powder Diffraction , Volume 35 , Issue 3 , September 2020 , pp. 213 - 215
Check for updates
Copyright
Copyright © 2020 International Centre for Diffraction Data

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Davenport, J. M., Covington, P., Bonifacio, L., Mcintyre, G., and Venitz, J. (2015). “Effect of uptake transporters OAT3 and OATP1B1 and efflux transporter MRP2 on the pharmacokinetics of eluxadoline,” J. Clin. Pharmacol. 55(5), 534–542.CrossRefGoogle ScholarPubMed
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K., and Puschmann, H. (2009). “OLEX2: a complete structure solution, refinement and analysis program,” J. Appl. Crystallogr. 42, 339–341.CrossRefGoogle Scholar
Fujita, W., Gomes, I., Dove, L. S., Prohaska, D., Mcintyre, G., and Devi, L. A. (2014). “Molecular characterization of eluxadoline as a potential ligand targeting mu-delta opioid receptor heteromers,” Biochem. Pharmacol. 92(3), 448–456.CrossRefGoogle ScholarPubMed
Lembo, A. J., Lacy, B. E., Zuckerman, M. J., Schey, R., and Covington, P. S. (2016). “Eluxadoline for irritable bowel syndrome with diarrhea,” N. Engl. J. Med. 374(3), 242–253.CrossRefGoogle ScholarPubMed
Neumann, M. A. (2003). “X-Cell: a novel indexing algorithm for routine tasks and difficult cases,” J. Appl. Crytallogr. 36, 356–365.CrossRefGoogle Scholar
Pawley, G. S. (1981). “Unit-cell refinement from powder diffraction scans,” J. Appl. Crystallogr. 14(6), 357–361.CrossRefGoogle Scholar
Sheldrick, G. M. (2008). “Foundations of crystallography,” Acta Crystallogr. A 64, 112–122.CrossRefGoogle Scholar
Sheldrick, G. M. (2015). “Crystal structure refinement with SHELXL,” Acta Crystallogr. C71, 3–8.Google Scholar
Supplementary material: Image

Wei et al. supplementary material

Wei et al. supplementary material 1

Download Wei et al. supplementary material(Image)
Image 9 MB
Supplementary material: Image

Wei et al. supplementary material

Wei et al. supplementary material 2

Download Wei et al. supplementary material(Image)
Image 7 MB
Supplementary material: Image

Wei et al. supplementary material

Wei et al. supplementary material 3

Download Wei et al. supplementary material(Image)
Image 7 MB
Supplementary material: File

Wei et al. supplementary material

Table S1

Download Wei et al. supplementary material(File)
File 38.9 KB