Crystal structure of 20ζ-hydroxy-3β-pyrrolidino-5-pregnene-16α-carbonitrile (HS1175): A novel design for neuromuscular blocking drugs View Full Text


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Article Info

DATE

1994-03

AUTHORS

T. K. Chattopadhyay, R. A. Palmer, J. N. Lisgarten

ABSTRACT

The structure of the title compound C26H38N2OH has been determined by direct methods from diffractometer data and refined by full-matrix least-squares. Crystals are monoclinicP21,a=6.237(1),b=10.295(2),c=18.485(2) Å, β=98.76(1)o,Z=2,Dc=1.12 g cm−3,R=0.055 for 1059 observed reflections. The structure has two N-containing functional groups, one each in the pyrrolidine ring and carbonitrile groups, with interatomic separation of 11.527 Å. The 16-carbonitrile group is α-oriented. All steroid rings are trans-connected, A and C being in chair conformations and B and D half-charis. N(23) in the carbonitrile side-chair forms a weak tail-tail hydrogen-bond network by linking with the neighboring OH(20) hydroxy group at 1−x, 1/2+y, 1−z. More... »

PAGES

231-234

References to SciGraph publications

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bf01672415

DOI

http://dx.doi.org/10.1007/bf01672415

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1000066300


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