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1200-55-1

1200-55-1结构式

常用中文名：[(E)-(1-methylpyridin-2-ylidene)methyl]-oxo-azanium; sulfooxymethane
常用英文名：[(E)-(1-methylpyridin-2-ylidene)methyl]-oxo-azanium; sulfooxymethane
CAS号：1200-55-1
分子式：C₈H₁₂N₂O₅S
分子量：248.25600
发布时间：2016-09-02 20:49:48
更新时间：2024-01-13 12:49:52

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英文名	[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium,methyl sulfate
英文别名	2-Formyl-1-methylpyridinium methyl sulfate oxime Sulfomethylate de pralidoxime [French] Contrastigmine 2-[(hydroxyimino)methyl]-1-methylpyridinium methyl sulfate Pralidoxime methyl sulfate Pyridinium,2-formyl-1-methyl-,methyl sulfate,oxime Pyridine-2-aldoxime methylsulfate Contrastigmin EINECS 214-852-8

沸点	189.7ºC at 760 mmHg
分子式	C₈H₁₂N₂O₅S
分子量	248.25600
闪点	68.5ºC
精确质量	248.04700
PSA	111.28000
LogP	0.49300
蒸汽压	0.562mmHg at 25°C
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: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

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

海关编码	2933399090

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%