ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester) 溴甲乙胺痉平
CAS 3166-62-9 MFCD00210328
化学结构图
SMILES: CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]
化学属性
| Mol. Formula | C21H28NO3.Br |
|---|---|
| Mol. Weight | 422.41 |
别名和识别编码
| Chemical Name | ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester) |
|---|---|
| Wiswesser Line Notation | 2K2&1&2OVXQR&R &E |
| Synonym | Diethyl(2-hydroxyethyl)methylammonium bromide benzilate Alsain ENT 26656 Ethanaminium, N,N-diethyl-2-((hydroxydiphenylacetyl)oxy)-N-methyl-, Apulcin Diethyl(2-hydroxyethyl)methylammonium bromide, benzilate (ester) Ammonium, diethyl(2-hydroxyethyl)methyl-, bromide, benzilate |
| CAS Number | 3166-62-9 |
| Chemical Name Translation | 溴甲乙胺痉平 |
| LabNetwork Molecule ID | LN01867635 |
| PubChem Substance ID | 18493 |
| InChI | InChI=1S/C21H28NO3.BrH/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,24H,4-5,16-17H2,1-3H3;1H/q+1;/p-1 |
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相关文献及参考
- [2]. Nishikawa M, et al. Analysis of methylbenactyzium bromide in human urine by thin-layer chromatography and pyrolysis gas chromatography. Forensic Sci Int. 1991 Mar;49(2):197-203.
- [1]. Bhattacharjee AK, et al. Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods. Bioorg Med Chem. 2013 May 1;21(9):2651-62.
- [1]. Bhattacharjee AK, et al. Discovery of subtype selective muscarinic receptor antagonists as alternatives to atropine using in silico pharmacophore modeling and virtual screening methods. Bioorg Med Chem. 2013 May 1;21(9):2651-62.
- [2]. Nishikawa M, et al. Analysis of methylbenactyzium bromide in human urine by thin-layer chromatography and pyrolysis gas chromatography. Forensic Sci Int. 1991 Mar;49(2):197-203.
安全信息
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 52 mg/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: 6,358,1982
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 780 mg/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: 6,358,1982
