Piperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-(methylthio)phenyl)-

CAS 1051-73-6 MFCD01051736

化学结构图

1051-73-6
SMILES: COc1ccc(CCN2CCN(c3ccccc3SC)CC2)cc1OC

化学属性

Mol. FormulaC21H28N2O2S
Mol. Weight372.57

别名和识别编码

Wiswesser Line NotationT6N DNTJ A2R CO1 DO1& DR BS1
Chemical NamePiperazine, 1-(3,4-dimethoxyphenethyl)-4-(o-(methylthio)phenyl)-
Synonym 1-(3,4-Dimethoxyphenethyl)-4-(o-(methylthio)phenyl)piperazine
CAS Number1051-73-6
Beilstein Registry Number0628338
InChIKeyZAYFNMYDNWEICN-UHFFFAOYSA-N
PubChem Substance ID120972
InChIInChI=1S/C21H28N2O2S/c1-24-19-9-8-17(16-20(19)25-2)10-11-22-12-14-23(15-13-22)18-6-4-5-7-21(18)26-3/h4-9,16H,10-15H2,1-3H3
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安全信息

RTECSTL5917200 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Autonomic Nervous System - central sympatholytic
   Vascular - BP elevation not characterized in autonomic section
   Lungs, Thorax, or Respiration - bronchiolar dilation
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: 8,104,1965

系列性分类

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