Piperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate

CAS 7350-01-8 MFCD N/A

化学结构图

7350-01-8
SMILES: CC(COc1ccccc1Cc1ccccc1)[N+]1(C)CCCCC1.Cc1ccc(S(=O)(=O)O)cc1

化学属性

Mol. Weight495.73
Mol. FormulaC22H30NO.C7H7O3S

别名和识别编码

Wiswesser Line NotationT6KTJ AY1&1OR B1R&& A1 &WSO&R X1
Chemical NamePiperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-methyl-, toluenesulfonate
Synonym (1-((2-Benzylphenoxy)methyl)ethyl)-1-methylpiperidinium toluenesulfonate
CAS Number7350-01-8
InChIKeyOXOHQYAPQJZIOO-UHFFFAOYSA-N
PubChem Substance ID202039
InChIInChI=1S/C22H30NO.C7H8O3S/c1-19(23(2)15-9-4-10-16-23)18-24-22-14-8-7-13-21(22)17-20-11-5-3-6-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h3,5-8,11-14,19H,4,9-10,15-18H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;
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安全信息

RTECSTN4434800 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 95 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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