ammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester) 溴甲乙胺痉平

CAS 3166-62-9 MFCD00210328

化学结构图

3166-62-9
SMILES: CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1.[Br-]

化学属性

Mol. FormulaC21H28NO3.Br
Mol. Weight422.41

别名和识别编码

Chemical Nameammonium,diethyl(2-hydroxyethyl)methyl-,bromide,benzilate(ester)
Wiswesser Line Notation2K2&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 Number3166-62-9
Chemical Name Translation溴甲乙胺痉平
LabNetwork Molecule IDLN01867635
PubChem Substance ID18493
InChIInChI=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

RTECSBP7524000 
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

系列性分类

  1. Medical Research Areas
  2. GPCR & G Protein
  3. mAChR  (毒蕈碱型乙酰胆碱受体)

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