title: 2'-hydroxy-5,9-dimethyl-2-(3-methyl-2-butenyl)-6,7-benzomorphan (pentazocine) hydrochloride hydrate.
abstract: The title compound [1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-butenyl)-2,6-methano- 3- benzazocin-8-ol hydrochloride hydrate, C19H28NO+.-Cl-.1/8H2O, (I)] crystallizes with two molecules per asymmetric unit. A comparison of the bond lengths and torsion angles shows a side-chain orientation similar to that of cyclazocine but unlike that of naloxone. The two molecules are linked through a hydrogen-bond network to the interlayer Cl ions, forming a linear chain extending along the ac diagonal of the unit cell.
authors.affiliation: Department of Chemistry, Southern University, New Orleans, LA 70126.
authors.forename: R J
authors.initials: RJ
authors.lastname: Majeste
authors.forename: D
authors.initials: D
authors.lastname: Poindexter
authors.forename: L
authors.initials: L
authors.lastname: Jones
authors.forename: C L
authors.initials: CL
authors.lastname: Klein
mesh_terms: D018360:Crystallography, X-Ray; D008958:Models, Molecular; D015394:Molecular Structure; D009294:Narcotics / Q000737:chemistry*; D010423:Pentazocine / Q000737:chemistry*; D013329:Structure-Activity Relationship
chemical_list: D009294:Narcotics; D010423:Pentazocine