Acta Crystallographica Section C

Crystal Structure Communications

Volume 64, Part 1 (January 2008)

organic compounds

dn3071 scheme

Acta Cryst. (2008). C64, o15-o17 [ doi:10.1107/S0108270107060507 ]

Almotriptan, an antimigraine agent, and its malate salt

K. Ravikumar, B. Sridhar, H. Krishnan and A. N. Singh

Abstract: The crystal structures of almotriptan {systematic name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine}, C₁₇H₂₅N₃O₂S, and almotriptan malate {systematic name: N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanaminium malate, C₁₇H₂₆N₃O₂S⁺·C₄H₅O₅^-, a novel selective serotonin 1B/D agonist, have been determined in order to gain further insight into the structure-activity relationships of triptans. The two structures differ in the orientation of their sulfonylpyrrolidine side chains. A comparison with other triptans reveals that molecules of almotriptan, sumatriptan, zolmitriptan and rizatriptan can adopt two principal conformations. N-HN, N-HO and O-HO hydrogen bonds are responsible for the molecular packing.

Formula: C₁₇H₂₅N₃O₂S and C₁₇H₂₆N₃O₂S⁺·C₄H₅O₅^-


	Structure factor file (CIF format) (150.1 kbytes) [ doi:10.1107/S0108270107060507/dn3071Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (199.1 kbytes) [ doi:10.1107/S0108270107060507/dn3071IIsup3.hkl ] Contains datablock II

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

Search: From to Advanced search