1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-propylpiperidinium hydrogen sulfate

CAS 7387-97-5 MFCD01700015

化学结构图

7387-97-5
SMILES: CCC[N+]1(C(C)COc2ccccc2Cc2ccccc2)CCCCC1.O=S(=O)([O-])O

化学属性

Mol. FormulaC24H34NO.HO4S
Mol. Weight449.66

别名和识别编码

Chemical NamePiperidinium, 1-(1-((2-benzylphenoxy)methyl)ethyl)-1-propyl-, hydrogen sulfate
Wiswesser Line NotationT6KTJ AY1&1OR B1R&& A3 &WSQO
Synonym 1-(1-((2-Benzylphenoxy)methyl)ethyl)-1-propylpiperidinium hydrogen
CAS Number7387-97-5
InChIKeyIEZQRZSRUNDSNP-UHFFFAOYSA-M
PubChem Substance ID202055
InChIInChI=1S/C24H34NO.H2O4S/c1-3-16-25(17-10-5-11-18-25)21(2)20-26-24-15-9-8-14-23(24)19-22-12-6-4-7-13-22;1-5(2,3)4/h4,6-9,12-15,21H,3,5,10-11,16-20H2,1-2H3;(H2,1,2,3,4)/q+1;/p-1
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安全信息

RTECSTN4435000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 25 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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