116763-36-1

• 常用中文名：Nestifylline
• 常用英文名：Nestifylline
• CAS号：116763-36-1
• 分子式：C₁₁H₁₄N₄O₂S₂
• 分子量：298.38400
• 发布时间：2017-11-27 03:56:01
• 更新时间：2025-08-26 20:43:18

名称

• 英文名: 7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
• 英文别名: 7-(1,3-dithiolan-2-ylmethyl)theophylline; 3,7-Dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl)-1H-purine-2,6-dione; Nestifyllinum [INN-Latin]; Abc 99; Nestifilina [INN-Spanish]; 7-(1,3-Dithiolan-2-ylmethyl)-1,3-dimethylxanthine; 7-(1,3-dithiolan-2-ylmethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione; Nestifylline; Nestifylline [INN]

物化性质

• 密度: 1.62g/cm3
• 沸点: 559.9ºC at 760mmHg
• 分子式: C₁₁H₁₄N₄O₂S₂
• 分子量: 298.38400
• 闪点: 292.4ºC
• 精确质量: 298.05600
• PSA: 112.42000
• LogP: 0.23980
• 蒸汽压: 1.45E-12mmHg at 25°C
• 折射率: 1.788

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UO8422650 CHEMICAL NAME : 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1,3-dithiolan-2-ylmethyl) - CAS REGISTRY NUMBER : 116763-36-1 LAST UPDATED : 199806 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C11-H14-N4-O2-S2 MOLECULAR WEIGHT : 298.41 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1835 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #4868186 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 457 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DECRDP Drugs under Experimental and Clinical Research. (Bioscience Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland) V.1- 1977- Volume(issue)/page/year: 16,263,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 24,635,1989 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 534 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : DECRDP Drugs under Experimental and Clinical Research. (Bioscience Ediprint, Blvd. James-Fazy 13, 1201 Geneva 1, Switzerland) V.1- 1977- Volume(issue)/page/year: 16,263,1990

合成路线

5614-53-9 540-63-6 ~50% 116763-36-1

文献：European Journal of Medicinal Chemistry, , vol. 24, # 6 p. 635 - 638

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