Adiphenine methyl bromide

CAS 6113-04-8 MFCD00031597

化学结构图

6113-04-8
SMILES: CC[N+](C)(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.[Br-]

化学属性

Mol. FormulaC21H28BrNO2
Mol. Weight406.367

别名和识别编码

Chemical NameDIETHYL(2-(DIPHENYLACETOXY)-ETHYL)METHYLAMMONIUM BROMIDE
Synonym Acetic acid, diphenyl-, ester with diethyl(2-hydroxyethyl)methylammonium
MDL NumberMFCD00031597
Chemical Name Translation
InChIKeyWMUOPJLADBOCIX-UHFFFAOYSA-M
Wiswesser Line Notation2K2&1&2OVYR&R &E
CAS Number6113-04-8
PubChem Substance ID197841
InChIInChI=1S/C21H28NO2.BrH/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1
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安全信息

RTECSBP7560000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 22500 ug/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85KYAH "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals",
   11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989 Volume(issue)/page/year:
   11,27,1989

系列性分类

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