Structure of a potent antithyroid drug, 6-propyl-2-thiouracil.

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概要

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• The crystal strure of 6-propyl-2-thiouracil (PTU), an antithyroid drug, has been determined as a 2 : 1 complex with 1,4-dioxane [(C<SUB>7</SUB>H<SUB>10</SUB>N<SUB>2</SUB>OS)<SUB>2</SUB>(C<SUB>4</SUB>H<SUB>8</SUB>O<SUB>2</SUB>)]. The crystals are monoclinic, space group P2<SUB>1</SUB>/a, with <I>a</I>=8.983(5), <I>b</I>=23.706(12), <I>c</I>=4.942(2) Å, β=95.79(3)°, <I>V</I>=1047.1(9) Å<SUP>3</SUP>, <I>Z</I>=4, <I>D</I><SUB>x</SUB>=1.36 Mg m<SUP>−3</SUP>, <I>D</I><SUB>m</SUB>=1.35 Mg m<SUP>−3</SUP>, MW=214.29, λ(Cu <I>K</I>α)=1.5418 Å. Final <I>R</I>=0.098 for 1575 reflexions.

• 公益社団法人 日本化学会の論文

著者

• Okabe Nobuo

  Faculty Of Pharmaceutical Sciences Kinki University

• Fujiwara Takaji

  Faculty Of Pharmaceutical Sciences Of Osaka University

• YAMAGATA Yuriko

  Faculty of Pharmaceutical Sciences, Osaka University

• Tomita Ken-ici

  Faculty of Pharmaceutical Sciences, Osaka University

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