115-44-6

• 常用中文名：Talbutal
• 常用英文名：Talbutal
• CAS号：115-44-6
• 分子式：C₁₁H₁₆N₂O₃
• 分子量：224.25600
• 发布时间：2017-01-12 09:42:28
• 更新时间：2024-01-13 18:55:22

名称

• 英文名: 5-butan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
• 英文别名: 5-Allyl-5-sec-butyl-barbitursaeure; 5-Allyl-5-sec-butylbarbituric acid; Talbutale; Talbumalum; 5-allyl-5-sec-butyl-pyrimidine-2,4,6-trione; Talbutalum; Lotusate; EINECS 204-090-4; TALBUTAL

物化性质

• 密度: 1.098g/cm3
• 分子式: C₁₁H₁₆N₂O₃
• 分子量: 224.25600
• 精确质量: 224.11600
• PSA: 75.27000
• LogP: 1.61860
• 蒸汽压: 0.000384mmHg at 25°C
• 折射率: 1.487
• 储存条件:

  库房通风低温干燥; 与食品原料分开存放。

• 分子结构:

  1、 摩尔折射率：57.62

  2、 摩尔体积（cm³/mol）：204.2

  3、 等张比容（90.2K）：496.4

  4、 表面张力（dyne/cm）：34.9

  5、 极化率（10-24cm3）：22.84

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:2

  3.氢键受体数量:3

  4.可旋转化学键数量:4

  5.互变异构体数量:5

  6.拓扑分子极性表面积75.3

  7.重原子数量:16

  8.表面电荷:0

  9.复杂度:329

  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:1

  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

毒理学数据: 口服-大鼠 LD50： 57.5 毫克/公斤;口服-豚鼠LD50: 56 毫克/公斤。 CHEMICAL IDENTIFICATION RTECS NUMBER : CP8225000 CHEMICAL NAME : Barbituric acid, 5-allyl-5-sec-butyl- CAS REGISTRY NUMBER : 115-44-6 LAST UPDATED : 199604 DATA ITEMS CITED : 10 MOLECULAR FORMULA : C11-H16-N2-O3 MOLECULAR WEIGHT : 224.29 WISWESSER LINE NOTATION : T6VMVMV FHJ FY2&1 F2U1 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 : 57500 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 68 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 143 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : CLDND* Compilation of LD50 Values of New Drugs. (J.R. MacDougal, Dept. of National Health and Welfare, Food and Drug Divisions, 35 John St., Ottawa, Ont., Canada) TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 55 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 44,325,1932 TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 57,1961,1935 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - pigeon DOSE/DURATION : 56 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - duck DOSE/DURATION : 100 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Bird - wild bird species DOSE/DURATION : 75 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 21,315,1972

安全

• 危险品运输编码: UN 3249
• 包装等级: III
• 危险类别: 6.1(b)
• 海关编码: 2933540000

合成路线

78-76-2 2565-43-7 ~% 115-44-6

文献：Riedel-de Haen Patent: CH137887 , 1927 ;

海关

海关编码	2933540000
中文概述	2933540000 其他丙二酰脲（巴比土酸）的衍生物以及它们的盐。监管条件:无。增值税率:17.0%。退税率:9.0%。最惠国关税:6.5%。普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933540000 other derivatives of malonylurea (barbituric acid); salts thereof。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:20.0%