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2-吡啶硫酸二甲酯肟
- 基本信息
- 物化性质
- 安全信息
- 毒理性
- 海关数据
- 结构与计算化学
2-吡啶硫酸二甲酯肟 基本信息
- 中文名称：
- 2-吡啶硫酸二甲酯肟
- 中文别名：
- 2-吡啶硫酸二甲酯肟;
[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium,methyl sulfate
- 英文名称：
- 2-[(hydroxyimino)methyl]-1-methylpyridinium methyl sulphate
- 英文别名：
- [(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium,methyl sulfate;
Pyridinium,2-formyl-1-methyl-,methyl sulfate,oxime;
Contrastigmine;
Sulfomethylate de pralidoxime [French];
2-[(hydroxyimino)methyl]-1-methylpyridinium methyl sulfate;
Pralidoxime methyl sulfate;
Pyridine-2-aldoxime methylsulfate;
2-Formyl-1-methylpyridinium methyl sulfate oxime;
Contrastigmin
- CAS No.：
- 1200-55-1
- 分 子 式：
- C8H12N2O5S
- 分 子 量：
- 248.25628
- 精确分子量：
- 248.04700
- PSA：
- 111.28000
- EINECS：
- 214-852-8
- InChI：
- The Key: OVPHBYQAKDEEBD-UHFFFAOYSA-N
- 分子结构式：
-
- SDS：
- 查看
2-吡啶硫酸二甲酯肟 物化性质
- 沸点：
- 189.7ºC at 760 mmHg
- 闪点：
- 68.5ºC
- 蒸汽压：
- 0.562mmHg at 25°C
2-吡啶硫酸二甲酯肟 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- UU4582000
- CHEMICAL NAME :
- Pyridinium, 2-formyl-1-methyl-, methyl sulfate, oxime
- CAS REGISTRY NUMBER :
- 1200-55-1
- LAST UPDATED :
- 198611
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C7-H9-N2-O.C-H3-O4-S
- MOLECULAR WEIGHT :
- 248.28
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 :
- 1716 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 15,1146,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 145 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- MEXPAG Medicina Experimentalis. (Basel, Switzerland) V.1-11, 1959-64;
V.18-19, 1968-69. For publisher information, see JNMDBO.
Volume(issue)/page/year: 8,313,1963
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 686 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 15,1146,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 172 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 15,1146,1960
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rabbit
- DOSE/DURATION :
- 172 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold
Lungs, Thorax, or Respiration - dyspnea
Lungs, Thorax, or Respiration - cyanosis
- REFERENCE :
- THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris,
France) V.1- 1946- Volume(issue)/page/year: 15,1146,1960
2-吡啶硫酸二甲酯肟 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%
2-吡啶硫酸二甲酯肟 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:6
4.可旋转化学键数量:1
5.互变异构体数量:无
6.拓扑分子极性表面积109
7.重原子数量:16
8.表面电荷:0
9.复杂度:306
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:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:2
