Quinolinium, p-toluenesulfonate

CAS 5563-10-0 MFCD N/A

化学结构图

5563-10-0
SMILES: Cc1ccc(S(=O)(=O)[O-])cc1.ClCCN(CCCl)c1ccc(C[n+]2cccc3ccccc32)cc1

化学属性

Mol. Weight531.53
Mol. FormulaC20H21Cl2N2.C7H7O3S

别名和识别编码

Wiswesser Line NotationT66 BKJ B1R DN2G2G &WSO&R D1
Chemical NameQuinolinium, 1-(p-(bis(2-chloroethyl)amino)benzyl)-, p-toluenesulfonate
Synonym 1-(p-(Bis(2-chloroethyl)amino)benzyl)quinolinium toluenesulfonate
CAS Number5563-10-0
InChIKeyDQAGEPHQBJVYSE-UHFFFAOYSA-N
PubChem Substance ID21126906
InChIInChI=1S/C20H21Cl2N2.C7H8O3S/c21-11-14-23(15-12-22)19-9-7-17(8-10-19)16-24-13-3-5-18-4-1-2-6-20(18)24;1-6-2-4-7(5-3-6)11(8,9)10/h1-10,13H,11-12,14-16H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1
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安全信息

RTECSVC3535000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 56 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#02680

系列性分类

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