1050-48-2

• 常用中文名：苯咯溴铵
• 常用英文名：Pyrrolidinium,1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-, bromide (1:1)
• CAS号：1050-48-2
• 分子式：C₂₂H₂₈BrNO₃
• 分子量：434.36700
• 发布时间：2018-09-12 11:16:34
• 更新时间：2024-01-10 18:10:19

名称

• 中文名: 苯咯溴铵
• 英文名: rac-Benzilonium Bromide
• 英文别名: (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate,bromide

物化性质

• 分子式: C₂₂H₂₈BrNO₃
• 分子量: 434.36700
• 精确质量: 433.12500
• PSA: 46.53000
• LogP: 0.05740
• 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:7

  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:444

  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:2

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : UY4330000 CHEMICAL NAME : Pyrrolidinium, 1,1-diethyl-3-hydroxy-, bromide, benzilate CAS REGISTRY NUMBER : 1050-48-2 LAST UPDATED : 198612 DATA ITEMS CITED : 4 MOLECULAR FORMULA : C22-H28-N-O3.Br MOLECULAR WEIGHT : 434.42 WISWESSER LINE NOTATION : T5KTJ A2 A2 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 : 760 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 363 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 11200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intramuscular SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 138 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 19,673,1964

安全

• 海关编码: 2933990090

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 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	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%