title: The dangerous new synthetic drug α-PVP as the hydrated chloride salt α-pyrrolidinopentiophenone hydrochloride 0.786-hydrate.
abstract: α-Pyrrolidinovalerophenone (α-PVP), a dangerous designer drug, is now being marketed around the world as a harmless `bath salt', when in reality it is a powerful β-ketone phenethylamine stimulant. A sample of the free base from a recent law-enforcement seizure was crystallized as the HCl salt [systematic name: 1-(1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride 0.786-hydrate], C15H22NO(+)·Cl(-)·0.786H2O. In the crystal structure, the propyl chain is nearly perpendicular to both the phenyl ring and the carbonyl group. The hydrogen-bonding scheme involves the quaternary N atom, the Cl(-) anion and the partially occupied (0.786) water molecule, forming centrosymmetric dimers.
authors.affiliation: Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.
authors.forename: Matthew R
authors.initials: MR
authors.lastname: Wood
authors.affiliation: Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.
authors.forename: Ivan
authors.initials: I
authors.lastname: Bernal
authors.affiliation: Carl A. Olson Memorial Laboratories, Department of Chemistry, Rutgers University, Newark, NJ 07102, USA.
authors.forename: Roger A
authors.initials: RA
authors.lastname: Lalancette
mesh_terms: D000838:Anions / Q000737:chemistry*; D000697:Central Nervous System Stimulants / Q000138:chemical synthesis* / Q000737:chemistry*; D018360:Crystallography, X-Ray; D015198:Designer Drugs / Q000138:chemical synthesis* / Q000737:chemistry*; D006860:Hydrogen Bonding; D013287:Illicit Drugs / Q000138:chemical synthesis* / Q000737:chemistry*; D009861:Onium Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D010627:Phenethylamines / Q000737:chemistry* / Q000494:pharmacology; D011759:Pyrrolidines / Q000138:chemical synthesis* / Q000737:chemistry*; D012492:Salts / Q000138:chemical synthesis* / Q000737:chemistry*
chemical_list: C000608053:1-(1-oxo-1-phenylpentan-2-yl)pyrrolidin-1-ium chloride; D000838:Anions; D000697:Central Nervous System Stimulants; D015198:Designer Drugs; D013287:Illicit Drugs; D009861:Onium Compounds; D010627:Phenethylamines; D011759:Pyrrolidines; D012492:Salts; C542924:alpha-pyrrolidinovalerophenone; C000608052:beta-ketone phenethylamine
keywords: bath salts; crystal structure; designer drugs; flakka; gravel; synthetic cathinones; α-PVP; α-pyrrolidinovalerophenone; β-ketone phenethylamine stimulant