1-Butanone, 4-(3-azaspiro(5.5)undec-3-YL)-1-(2-thienyl)-

CAS 1228-27-9 MFCD N/A

化学结构图

1228-27-9
SMILES: O=C(CCCN1CCC2(CCCCC2)CC1)c1cccs1

化学属性

Mol. FormulaC18H27NOS
Mol. Weight305.52

别名和识别编码

Wiswesser Line NotationT6N DXTJ A3V- BT5SJ& D-& AL6XTJ
Chemical Name1-Butanone, 4-(3-azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-
Synonym 4-(3-Azaspiro(5.5)undec-3-yl)-1-(2-thienyl)-1-butanone
CAS Number1228-27-9
Beilstein Registry Number1347957
InChIKeyZPERBBJJOARZRB-UHFFFAOYSA-N
PubChem Substance ID14673
InChIInChI=1S/C18H27NOS/c20-16(17-7-5-15-21-17)6-4-12-19-13-10-18(11-14-19)8-2-1-3-9-18/h5,7,15H,1-4,6,8-14H2
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安全信息

RTECSEL6680000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 30 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
   Biochemical - Metabolism (Intermediary) - effect on inflammation or
   mediation of inflammation
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: 8,62,1965

系列性分类

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