The Crystal Structure of Carteolol Hydrochloride : 5-(3-tert-Butylamino-2-hydroxy) propoxy-3,4-dihydro-2-quinolone, OPC-1085
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概要
- 論文の詳細を見る
The crystal structure of carteolol hydrochloride (C_<16>H_<24>N_2O_3・HCl), a novel β-adrenergic blocking agent, was determined by X-ray diffraction analysis. The crystal is monoclinic and the space group is P 2_1/n with Z=4. The cell dimensions are a=7.873 (4), b=26.435 (19), c=8.549 (7) A, and β=105.67 (6)°. The structure was solved by a direct method using the MULTAN program and refined by a block-diagonal least-squares method to give a final R-value of 0.054. Cl- anion forms two hydrogen bonds with the cationic amino group and one with the hydroxy group. The amino and hydroxy groups are relatively close together, but no intramolecular hydrogen bond is formed. The C (3)-C (4) bond distance of the 3,4-dihydro-2-quinolone ring, 1.397 A, is rather shorter than a normal single bond distance but it seems probable that the bond is actually single and that the C (3) and C (4) atoms deviate from the least-squares ring plane by 0.42 A and 0.30 A, respectively, to opposite sides.
- 社団法人日本薬学会の論文
- 1981-08-25
著者
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冨田 研一
Faculty of Pharmaceutical Sciences, Osaka University
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木戸 勝
Tokushima Research Institute, Otsuka Pharmaceutical Co., Ltd.,
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木戸 勝
Second Institute Of New Drug Research Otsuka Pharmaceutical Co. Ltd.
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木戸 勝
Tokushima Research Institute Otsuka Pharmaceutical Co. Ltd.
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中川 量之
2nd Tokushima Institute Of New Drugs Research Otsuka Pharmaceutical Co. Ltd.
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中川 量之
大塚製薬株式会社有機化学研究所
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中川 量之
Tokushima Research Institute Otsuka Pharmaceutical Co. Ltd.
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中川 量之
大塚製薬株式会社徳島研究所
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藤原 隆二
Faculty of Pharmaceutical Sciences, Osaka University
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藤原 隆二
Faculty Of Pharmaceutical Sciences Osaka University
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冨田 研一
Faculty Of Pharmaceutical Sciences Osaka University
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Kido Masaru
Second Institute Of New Drug Research Otsuka Pharmaceutical Co. Ltd.
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