The crystal structure of the neuroleptic agent (±)-deoxybutaclamol and its significance for the topography of the central dopamine receptor
Keyword(s):
(±)-Deoxybutaclamol, C25H31N, crystallizes in space group P21/a with cell dimensions: a = 16.626(3), b = 10.646(2), c = 11.278(3) Å, β = 90.47(4)°. The structure was solved by direct methods using the QTAN program. The coordinates were refined by block-diagonal least-squares calculations to R = 0.052 for 3147 observed reflections.The structure of (±)-deoxybutaclamol was found to be very similar to that of equipotent (±)-butaclamol and is in agreement with that assigned on the basis of chemical, spectral, crystallographic, and pharmacological studies. This confirmation validates the coordinates of a lipophilic accessory binding site in a proposed model of the central dopamine receptor.