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PYRIDOSTIGMINE
- 基本信息
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
PYRIDOSTIGMINE 基本信息
- 中文名称：
- PYRIDOSTIGMINE
- 中文别名：
- 3-[[(二甲氨基)羰基]氧]-1-甲基吡啶;
(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
- 英文名称：
- Pyridinium,3-[[(dimethylamino)carbonyl]oxy]-1-methyl-
- 英文别名：
- (1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate;
Pyridostigmin;
UNII-19QM69HH21;
3-Dimethylcarbamoyloxy-1-methyl-pyridinium;
Pyridostigmine;
Regonol;
3-(N,N-Dimethylcarbamoyloxy)-1-methyl-pyridinium;
Mestinon-SR;
Pyridostigmine Bromine;
Pyridostigminum
- CAS No.：
- 155-97-5
- 分 子 式：
- C9H13N2O2
- 分 子 量：
- 181.24
- 精确分子量：
- 181.09800
- PSA：
- 33.42000
- InChI：
- The Key: RVOLLAQWKVFTGE-UHFFFAOYSA-N
- 安全术语：
- Poison by ingestion, intramuscular, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx. See also CARBAMATES and ESTERS.
- 分子结构式：
-
- SDS：
- 查看
PYRIDOSTIGMINE 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UU5283000
- CHEMICAL NAME :
- Pyridinium, 3-hydroxy-1-methyl-, dimethylcarbamate
(ester)
- CAS REGISTRY NUMBER :
- 155-97-5
- BEILSTEIN REFERENCE NO. :
- 1428269
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 6
- MOLECULAR FORMULA :
- C9-H13-N2-O2
- MOLECULAR WEIGHT :
- 181.24
- WISWESSER LINE NOTATION :
- T6KJ A1 COVN1&1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2790 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New
York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 1,355,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2700 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
1,217,1981
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3300 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- APTOA6 Acta Pharmacologica et Toxicologica. (Copenhagen, Denmark) V.1-59,
1945-86. For publisher information, see PHTOEH Volume(issue)/page/year:
45,9,1979
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1867 ug/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc.,
Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
20037) V.6- 1963- Volume(issue)/page/year: 33,577,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 53900 ug/kg
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - true cholinesterase
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New
York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,319,1980
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intramuscular
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 2800 ug/kg
- TOXIC EFFECTS :
- Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - true cholinesterase
- REFERENCE :
- DCTODJ Drug and Chemical Toxicology. (Marcel Dekker, 270 Madison Ave., New
York, NY 10016) V.1- 1977/78- Volume(issue)/page/year: 3,319,1980
PYRIDOSTIGMINE 海关数据
中国海关编码：2933399090
- 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
- 摘要/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%
PYRIDOSTIGMINE 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）:0.7
2.氢键供体数量:0
3.氢键受体数量:2
4.可旋转化学键数量:2
5.互变异构体数量:无
6.拓扑分子极性表面积33.4
7.重原子数量:13
8.表面电荷:1
9.复杂度:183
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
