1,2,2,4-Tetramethyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]pyrrolidinium iodide

CAS 1676-51-3 MFCD01676513

化学结构图

1676-51-3
SMILES: CC1=CC(C)C(=O)N(CC[N+]2(C)CC(C)CC2(C)C)C(C)=C1.[I-]

化学属性

Mol. Weight432.44
Mol. FormulaC19H33N2O.I

别名和识别编码

Wiswesser Line NotationT7NV CHJ C1 E1 G1 A2- AT5KTJ A1 B1 B1 D1 &I
Chemical NamePyrrolidinium, 1-(2-(1,3-dihydro-2-oxo-3,5,7-trimethyl-2H-azepin-1-yl)ethyl)-1,2,2,4-tetramethyl-, iodide
CAS Number1676-51-3
InChIKeyDWBUQUUKZWIGIA-UHFFFAOYSA-M
PubChem Substance ID121518
InChIInChI=1S/C19H33N2O.HI/c1-14-10-16(3)18(22)20(17(4)11-14)8-9-21(7)13-15(2)12-19(21,5)6;/h10-11,15-16H,8-9,12-13H2,1-7H3;1H/q+1;/p-1
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安全信息

RTECSUY4337000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 24 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: 6,771,1963

系列性分类

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