Identification of a heroin diluent: One- and two-dimensional proton and carbon-13 NMR studies of procaine hydrochloride: Computational studies of procaine and its conjugate acid

摘要

An unknown powder was recently acquired by street ethnographers from a distributor who routinely ''cut'', adulterated and diluted, his heroin with this product. We present here the results of one- and two-dimensional (1D and 2D) proton and carbon-13 NMR studies of this material that resulted in its identification as procaine hydrochloride. In addition, we give the results of ab initio molecular modeling calculations (Hartree-Fock level, 6-31G* basis set) for both procaine free base and for its protonated conjugate acid. [References: 13]