68-90-6

• 常用中文名：苯碘达隆
• 常用英文名：Benziodarone
• CAS号：68-90-6
• 分子式：C₁₇H₁₂I₂O₃
• 分子量：518.08400
• 发布时间：2018-02-17 08:00:00
• 更新时间：2024-01-13 22:07:23
• Benziodarone is a vasodilator. Results suggest that benziodarone has an amiodarone-like action.

名称

• 中文名: 苯碘达隆
• 英文名: (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-diiodophenyl)methanone
• 英文别名: Corofam; Amplivix; Cardivix; Coronal-crinos; Benziodaron; Algocor; Dila-Vasal; Retrangor; BENZIODARONE; Dilafurane

物化性质

• 密度: 1.993g/cm3
• 沸点: 518.2ºC at 760 mmHg
• 熔点: 166 °C
• 分子式: C₁₇H₁₂I₂O₃
• 分子量: 518.08400
• 闪点: 267.2ºC
• 精确质量: 517.88800
• PSA: 50.44000
• LogP: 5.14100
• 外观性状: 固体;White to Light yellow powder to crystal
• 折射率: 1.727
• 储存条件: 避免光
• 水溶解性: 水溶性：实际上不溶；可溶于：丙酮,氯仿
• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:1

  3.氢键受体数量:3

  4.可旋转化学键数量:3

  5.互变异构体数量:4

  6.拓扑分子极性表面积:50.4

  7.重原子数量:22

  8.表面电荷:0

  9.复杂度:405

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : OB1835000 CHEMICAL NAME : Ketone, 3,5-diiodo-4-hydroxyphenyl 2-ethyl-3-benzofuranyl CAS REGISTRY NUMBER : 68-90-6 BEILSTEIN REFERENCE NO. : 1257683 LAST UPDATED : 199612 DATA ITEMS CITED : 3 MOLECULAR FORMULA : C17-H12-I2-O3 MOLECULAR WEIGHT : 518.09 WISWESSER LINE NOTATION : T56 BOJ C2 DVR DQ CI EI HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 450 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 24,431,1973 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 130 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : YKYUA6 Yakkyoku. Pharmacy. (Nanzando, 4-1-11, Yushima, Bunkyo-ku, Tokyo, Japan) V.1- 1950- Volume(issue)/page/year: 24,431,1973 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 10 mg/kg TOXIC EFFECTS : Nutritional and Gross Metabolic - body temperature increase REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 15,1388,1965

合成路线

1477-19-6 ~% 68-90-6 3562-84-3

文献：US4766223 A1, ;

上下游产品

上游产品  1
1477-19-6
下游产品  0