苯咯溴铵
- 中文名称：
- 苯咯溴铵
- 中文别名：
- 苯咯溴铵
- 英文名称：
- Pyrrolidinium,1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-,bromide(1:1)
- 英文别名：
- Pyrrolidinium, 1,1-diethyl-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-, bromide (1:1);
1,1-Diethyl-3-hydroxypyrrolidinium bromide benzilate (6CI);
Pyrrolidinium, 1,1-diethyl-3-[(hydroxydiphenylacetyl)oxy]-, bromide (9CI);
Pyrrolidinium, 1,1-diethyl-3-hydroxy-, bromide, benzilate (8CI);
1-Ethyl-3-pyrrolidinyl benzilate ethylbromide;
Benzilonium bromide;
C.I. 379;
Minelcin;
Minelco;
Minelsin;
N-Ethyl-3-pyrrolidinyl benzilate ethylbromide;
NSC 107530;
Ortyn;
Ortyn retard;
PU 239;
Partyn;
Pirbenina;
Portyn;
Pyrbenine;
Ulcoban
- CAS No.：
- 1050-48-2
- 分 子 式：
-
C22H28NO3.Br
- 分 子 量：
- 434.36
- 精确分子量：
- 433.12526
- PSA：
- 46.53000
- EINECS：
- 213-885-5
- InChI：
- The Key: GGMMWVHTLAENAS-UHFFFAOYSA-M3
- 危险品标志：
-
- 风险术语：
-
- 安全术语：
-
- 分子结构式：
-
- SDS：
- 查看
苯咯溴铵 毒理性
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
苯咯溴铵 海关数据
中国海关编码：2933990090
- 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
- 摘要/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%
苯咯溴铵 分子结构与计算化学数据
计算化学数据
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
