1-((1-(2-Benzoylphenoxy)methyl)ethyl)-1-methylpiperidinium iodide

CAS 7347-86-6 MFCD01700035

化学结构图

7347-86-6
SMILES: CC(COc1ccccc1C(=O)c1ccccc1)[N+]1(C)CCCCC1.[I-]

化学属性

Mol. FormulaC22H28NO2.I
Mol. Weight465.41

别名和识别编码

Chemical NamePiperidinium, 1-((1-(2-benzoylphenoxy)methyl)ethyl)-1-methyl-, iodide
InChIKeyWTUFKPWPOXPMIS-UHFFFAOYSA-M
Wiswesser Line NotationT6KTJ AY1&1OR BVR&& A1 &I
Synonym 2-(2-Piperidinopropoxy)benzophenone methiodide Benzophenone, 2-(2-piperidinopropoxy)-, methiodide 1-((1-(2-Benzoylphenoxy)methyl)ethyl)-1-methylpiperidinium iodide
CAS Number7347-86-6
PubChem Substance ID202027
InChIInChI=1S/C22H28NO2.HI/c1-18(23(2)15-9-4-10-16-23)17-25-21-14-8-7-13-20(21)22(24)19-11-5-3-6-12-19;/h3,5-8,11-14,18H,4,9-10,15-17H2,1-2H3;1H/q+1;/p-1
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安全信息

RTECSTN4432700 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 80 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 9,804,1966

系列性分类

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