125-51-9

• 常用中文名：溴哌喷酯
• 常用英文名：Pipenzolate Bromide
• CAS号：125-51-9
• 分子式：C₂₂H₂₈BrNO₃
• 分子量：434.37
• 相关类别： 信号通路 神经信号通路 疼痛
• 发布时间：2018-09-25 11:01:08
• 更新时间：2025-08-21 09:48:35
• 哌唑溴是一种毒蕈碱受体拮抗剂,可阻止乙酰胆碱与受体结合。

名称

• 中文名: 溴哌喷酯
• 英文名: Pipenzolate bromide
• 中文别名: 匹普泰尔
• 英文别名: EINECS 204-741-2; Benzilic acid 1-ethylpiperidin-3-yl ester methobromide; MFCD00079275; (1-ethyl-1-methylpiperidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate,bromide

物化性质

• 分子式: C₂₂H₂₈BrNO₃
• 分子量: 434.37
• 精确质量: 433.12500
• PSA: 46.53000
• LogP: 0.05740
• 外观性状: 白色粉末
• 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:4

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积46.5

  7.重原子数量:27

  8.表面电荷:0

  9.复杂度:450

  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:2

  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:2

生物活性

• 描述: 哌唑溴是一种毒蕈碱受体拮抗剂,可阻止乙酰胆碱与受体结合。
• 相关类别:
  研究领域 >> 神经疾病
  信号通路 >> 神经信号通路 >> 疼痛

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : TN5425000 CHEMICAL NAME : Piperidinium, 1-ethyl-3-hydroxy-1-methyl-, bromide, benzilate CAS REGISTRY NUMBER : 125-51-9 LAST UPDATED : 199209 DATA ITEMS CITED : 8 MOLECULAR FORMULA : C22-H28-N-O3.Br MOLECULAR WEIGHT : 434.42 WISWESSER LINE NOTATION : T6KTJ A2 A1 COVXQR&R &Q &E 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 : 916 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,97,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 904 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 : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 18 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,97,1969 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1140 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 : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 18 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 : Mammal - dog DOSE/DURATION : 20 mg/kg TOXIC EFFECTS : Vascular - BP lowering not characterized in autonomic section Lungs, Thorax, or Respiration - respiratory depression 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: 112,64,1954 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : >500 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 : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - guinea pig DOSE/DURATION : 22 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)

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn: Harmful;
• 风险声明 (欧洲): R22
• 危险品运输编码: NONH for all modes of transport
• RTECS号: TN5425000
• 海关编码: 2933399090

合成路线

74-83-9 ~% 125-51-9

文献：Biel et al. Journal of the American Chemical Society, 1952 , vol. 74, p. 1485,1487

上下游产品

上游产品  1
74-83-9
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海关

海关编码	2933399090
中文概述	2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 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	2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%