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104-31-4生产厂家

104-31-4价格

104-31-4

104-31-4结构式
104-31-4结构式
  • 常用中文名:苯佐那酯
  • 常用英文名:Benzonatate
  • CAS号:104-31-4
  • 分子式:C30H53NO11
  • 分子量:603.74200
  • 相关类别: 原料药 呼吸系统用药 镇咳药
  • 发布时间:2018-03-10 08:00:00
  • 更新时间:2024-01-02 13:20:58
  • 苯佐那酯(benzonatate)又名退嗽露(tessalon)为丁卡因的衍生物。有较强的局部麻醉作用,抑制肺牵张感受器及感觉神经末梢。止咳剂量不抑制呼吸,反能增加肺每分钟通气量。用药后20分钟左右出现作用,维持3~4小时。对干咳、阵咳效果良好,也可用于支气管镜等检查前预防咳嗽。有轻度嗜睡、头晕、鼻塞等不良反应,偶见过敏性皮炎。服用时勿将药丸咬碎,以免引起口腔麻木。

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中文名 苯佐那酯
英文名 benzonatate
中文别名 本佐那酯
4-丁氨基苯甲酸九聚乙二醇单甲醚酯
对正丁氨基苯甲酸-2-(ω)-甲氧工-八乙氧基-乙酯
英文别名 Benzononatine
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
Benzonatato
EINECS 203-194-7
Tessalon
Benzonatate
Exangit
MFCD00072060
Benzonatatum
Tessalon-ciba
Benzononantin
Ventussin-loz
Ventussin
描述 苯甲酸盐(苯甲酸)是一种外周口服镇咳药,可抑制咳嗽伸展受体的活性。苯甲酸盐由于丁卡因样代谢物[1][2],具有钠通道阻断特性和对呼吸伸展受体的局部麻醉作用。
相关类别
参考文献

[1]. Thimann DA, et al. Benzonatate toxicity in a teenager resulting in coma, seizures, and severe metabolic acidosis. J Pediatr Pharmacol Ther. 2012;17(3):270-273.

[2]. Teo S, et al. The Antitussive Benzonatate Is Not Tumorigenic in Rodent Carcinogenicity Studies. Toxicol Pathol. 2018;46(6):683-692.

密度 1.096 g/cm3
分子式 C30H53NO11
分子量 603.74200
闪点 346.3ºC
精确质量 603.36200
PSA 121.40000
LogP 2.90760
外观性状 淡黄色油性液体
蒸汽压 9.98E-17mmHg at 25°C
折射率 1.495
储存条件 2-8°C
分子结构

1、 摩尔折射率:160.63

2、 摩尔体积(cm3/mol):550.6

3、 等张比容(90.2K):1383.4

4、 表面张力(dyne/cm):39.8

5、 极化率(10-24cm3):63.67

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:12

4.可旋转化学键数量:33

5.互变异构体数量:3

6.拓扑分子极性表面积121

7.重原子数量:42

8.表面电荷:0

9.复杂度:565

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

更多

1.性状:无色或淡黄色澄明油状液体。

2.溶解性:能溶于除脂肪烃以外的多种有机溶剂,与水、乙醇、苯、乙醚等混溶。

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DG4904500
CHEMICAL NAME :
Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy )ethoxy) ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
CAS REGISTRY NUMBER :
104-31-4
LAST UPDATED :
199504
DATA ITEMS CITED :
9
MOLECULAR FORMULA :
C30-H53-N-O11
MOLECULAR WEIGHT :
603.84
WISWESSER LINE NOTATION :
4MR DVO2O2O2O2O2O2O2O2O2O1

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 :
400 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 86,94,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 7,372,1959
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
9 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
HPPAAL Helvetica Physiologia et Pharmacologica Acta. (Basel, Switzerland) V.1-26, 1943-68. Discontinued. Volume(issue)/page/year: 15,55,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
217 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NYKZAU Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. (Nippon Yakuri Gakkai, c/o Kyoto Daigaku Igakubu Yakurigaku Kyoshitsu, Konoe-cho, Yoshida, Sakyo-ku, Kyoto 606, Japan) V.40- 1944- Volume(issue)/page/year: 54,688,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
4 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 86,94,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
200 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 86,94,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
5 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
SMWOAS Schweizerische Medizinische Wochenschrift. (Schwabe & Co., Steintorst 13, 4010 Basel, Switzerland) V.50- 1920- Volume(issue)/page/year: 86,94,1956
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
4400 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 7,739,1957 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5770 No. of Facilities: 10 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 197 (estimated) No. of Female Employees: 59 (estimated)

危害声明 H412
危害码 (欧洲) Xi
危险品运输编码 NONH for all modes of transport

对氨基苯甲酸乙酯先与溴丁烷在140-150℃缩合,再与聚乙二醇甲醚在105℃缩合得到退嗽。