Valethamate Bromide N,N-二乙基-N-甲基-2-((3-甲基-2-苯基戊酰基)氧基)溴化乙铵
CAS 90-22-2 MFCD00031617
化学结构图
SMILES: CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1.[Br-]
化学属性
| Mol. Formula | C19H32BrNO2 |
|---|---|
| Mol. Weight | 386.37 g/mol |
别名和识别编码
| Chemical Name | Valethamate Bromide |
|---|---|
| MDL Number | MFCD00031617 |
| CAS Number | 90-22-2 |
| EC Number | 201-977-8 |
| Synonym | 2-((3-methyl-2-phenylvaleryl)oxy)-n,n-diethyl-n-methyl-ethanaminiubromid 2-Diethylaminoethyl 2-phenyl-3-methylvalerate methyl bromide 2-Diethylaminoethyl 3-methyl-2-phenylvalerate methylbromide 2-diethylaminoethyl2-phenyl-3-methylvaleratemethylbromide 2-diethylaminoethyl3-methyl-2-phenylvaleratemethylbromide 3-methyl-2-phenyl-valericaciesterwithdiethyl(2-hydroxyethyl)methylamm 3-methyl-2-phenylvalericacid2-diethylaminoethylestermethylbromide 3-methyl-2-phenylvalericaciddiethyl(2-hydroxyethyl)methylammoniumbromidee Diethyl(2-hydroxyethyl)methyl-ammonium bromide 3-methyl-2-phenylvalerate Diethyl(2-hydroxyethyl)methylammonium 3-methyl-2-phenylvalerate bromide Diethyl(methyl)(2-(3-methyl-2-phenylvaleryloxy)ethyl)ammonium bromide Ediposin Epidosin Epidozin Ethanaminium, 2-(( |
| Chemical Name Translation | N,N-二乙基-N-甲基-2-((3-甲基-2-苯基戊酰基)氧基)溴化乙铵 |
| Reaxys-RN | 4171764 |
| PubChem Substance ID | 87577855 |
| Merck Number | 9906 |
| Wiswesser Line Notation | 2Y1&YR&VO2K2&2&1 &E |
| LabNetwork Molecule ID | LN00201161 |
| InChI | InChI=1S/C19H32NO2.BrH/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3;/h9-13,16,18H,6-8,14-15H2,1-5H3;1H/q+1;/p-1 |
| Canonical SMILES | CCC(C)C(C1=CC=CC=C1)C(OCC[N+](CC)(CC)C)=O.[Br-] |
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相关文献及参考
安全信息
- H302 Harmful if swallowed 吞食有害
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P301+P312+P330
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 9500 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,123,1969
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 105 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 8,245,1974
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 330 mg/kg TOXIC EFFECTS : Peripheral Nerve and Sensation - spastic paralysis with or without sensory change REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 5,599,1955
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 4200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,352,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 575 mg/kg T
其他信息
- Sigma Aldrich:90-22-2(sigmaaldrich)
- 图谱信息:戊沙溴铵(90-22-2)红外图谱(IR1) 戊沙溴铵(90-22-2)红外图谱(IR2) 戊沙溴铵(90-22-2)核磁图( 13 CNMR) 戊沙溴铵(90-22-2)质谱(MS)
- MOL 文件:90-22-2.mol
- MSDS 信息:Valethamate bromide(90-22-2).msds
- 戊沙溴铵价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 V0063 戊沙溴铵 Valethamate Bromide 25G 880元
- TCI Shanghai:戊沙溴铵 Valethamate Bromide,>;98.0%(T)(90-22-2)
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