Isoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate

CAS 985-84-2 MFCD N/A

化学结构图

985-84-2
SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)[O-].c1ccc(-c2cc(CC[NH+]3CCCCC3)no2)cc1

化学属性

Mol. Weight448.52
Mol. FormulaC16H20N2O.C6H8O7

别名和识别编码

Wiswesser Line NotationT6NTJ A2- ET5NOJ CR &GH
Chemical NameIsoxazole, 5-phenyl-3-(2-piperidinoethyl)-, citrate
Synonym 3-(2-Piperidinoethyl)-5-phenylisoxazole citrate
CAS Number985-84-2
InChIKeyPVXAECMKNYIEOD-UHFFFAOYSA-N
PubChem Substance ID13799
InChIInChI=1S/C16H20N2O.C6H8O7/c1-3-7-14(8-4-1)16-13-15(17-19-16)9-12-18-10-5-2-6-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h1,3-4,7-8,13H,2,5-6,9-12H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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安全信息

RTECSNY2935000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 443 mg/kg
TOXIC EFFECTS :
   Behavioral - analgesia
   Nutritional and Gross Metabolic - body temperature decrease
   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: 10,411,1967

系列性分类

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