(R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate

Dupont, L.;De Tullio, P;Tinant, Bernard;Pirotte, B.
(2001) Acta Crystallographica Section E-structure Reports Online — Vol. 57, p. O1050-O1051 (2001)

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Authors
  • Dupont, L.
    Author
  • De Tullio, P
    Author
  • Tinant, BernardUCLouvain
    Author
  • Pirotte, B.
    Author
Abstract
The crystal structure of the title compound, C11H16N4O2S .H2O, a pancreatic B-cell selective K-ATP channel opener, reveals that that the N-alkylsulfonylguanidine moiety of the drug containing the two guanidine NH groups in the same spatial orientation (in parallel) is closely related to the N-alkylcyanoguanidine moiety of pinacidil in the solid state. The results confirm that the title drug may be considered as a hybrid compound between pinacidil and diazoxide. The crystal packing involves four hydrogen bonds which link the drug and water molecules.
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Dupont, L., De Tullio, P., Tinant, B., & Pirotte, B. (2001). (R/S)-3-(3-Methyl-2-butylamino)-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate. Acta Crystallographica Section E-structure Reports Online, 57, O1050-O1051. https://doi.org/10.1107/S1600536801016622 (Original work published 2001)