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Steroids and related studies, Part 76: Crystal and molecular structure of 4,17a-di(2-hydroxyethyl)-4,17a-diaza-d-homo-5α-androstane (HS461)

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Abstract

The crystal structure of 4,17a-di(2-hydroxyethyl)-4,17a-diaza-d-homo-5α-androstane, C22N2O2H40 (HS461), the tertiary amine related to HS781, a potential bisquaternary neuromuscular blocking agent, has been determined by direct methods and refined by full-matrix least squares toR=0.0867 for 2049 reflections (R=0.0597), CuKα radiation θ≦65°. The space group is P212121 a=20.295(4),b=7.278(6),c=14.052(4) Å,Z=4. The rings in the modified steroid nucleus are alltrans connected symmetrical chairs. Hydroxyethyl side groups at N(4) and N(17a) both have an equatorial disposition, and the side chains assumetrans conformations.

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Author notes

  1. A. I. El-Shora

    Present address: Department of Physics, University of Tanta, Tanta, Egypt

Authors and Affiliations

  1. Department of Crystallography Birkbeck College, University of London, Malet Street, WC1E 7HX, London, England

    Rex A. Palmer & A. I. El-Shora

  2. Department of Pharmaceutical Sciences, Panjab University, 16004, Chandigarh, India

    Harkishan Singh & Dharam Paul

Authors
  1. Rex A. Palmer
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  2. A. I. El-Shora
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  3. Harkishan Singh
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  4. Dharam Paul
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Palmer, R.A., El-Shora, A.I., Singh, H. et al. Steroids and related studies, Part 76: Crystal and molecular structure of 4,17a-di(2-hydroxyethyl)-4,17a-diaza-d-homo-5α-androstane (HS461). Journal of Crystallographic and Spectroscopic Research 19, 629–640 (1989). https://doi.org/10.1007/BF01179835

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  • DOI: https://doi.org/10.1007/BF01179835

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