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  1. No Access

    Article

    Conformational preferences of the potent dopamine reuptake blocker BTCP and its analogs and their incorporation into a pharmacophore model

    Molecular mechanics calculations using MM3-92 and ab initio quantum mechanical calculations using SPARTAN 5.0 were performed on the structurally similar PCP and BTCP, in which only the latter has a cocaine-lik...

    Mark Froimowitz, Kuo-Ming Wu, Jason Rodrigo… in Journal of Computer-Aided Molecular Design (2000)

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    Article

    Crystal Structures of Analogs of threo-Methylphenidate

    The crystal structures of the chloride salts of five analogs of threo-methylphenidate have been obtained. Four of these have different substituents on the phenyl ring while the fifth is the ethyl ester of methylp...

    Mark Froimowitz, Kuo-Ming Wu, Clifford George, Don VanDerveer… in Structural Chemistry (1998)

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    Article

    Crystal structure of the meta hydroxyl phenyl analog of α(+)-prodine

    The meta hydroxyphenyl analog of α-prodine (1,3-dimethyl-(4-meta-hydroxy phenyl)-4-propionyloxypiperidine) free base crystallizes in the orthorhombic space group P212121. The relative configuration of the compoun...

    Vivian Cody, Naiyin Li, Atmaram D. Khanolkar… in Journal of Chemical Crystallography (1996)

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    Article

    Butaclamol: Absolute configuration, crystal and molecular conformation

    (−)-Butaclamol HCl, C25H31ONCl, crystallizes in the monoclinic space group P21 with cell dimensionsa=12.842(2),b=7.741(1),c=11.667(2)Å andβ=106.54(2)°,z=2. Refinement of nonhydrogen atoms with anisotropic thermal...

    Vivian Cody, Mark Froimowitz in Journal of Crystallographic and Spectroscopic Research (1990)