3-Phenyl-5-(2-(diethylamino)ethyl)isoxazole citrate

CAS 985-69-3 MFCD N/A

化学结构图

985-69-3
SMILES: CC[NH+](CC)CCc1cc(-c2ccccc2)no1.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]

化学属性

Mol. Weight436.51
Mol. FormulaC15H20N2O.C6H8O7

别名和识别编码

Wiswesser Line NotationT5NOJ C2N2&2 ER &QV1XQVQ1VQ
Chemical NameIsoxazole, 5-(2-(diethylamino)ethyl)-3-phenyl, citrate (1:1)
Synonym 3-Phenyl-5-(2-(diethylamino)ethyl)isoxazole citrate
CAS Number985-69-3
InChIKeyIONVJVZOGJBIOM-UHFFFAOYSA-N
PubChem Substance ID13797
InChIInChI=1S/C15H20N2O.C6H8O7/c1-3-17(4-2)11-10-14-12-15(16-18-14)13-8-6-5-7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9,12H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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安全信息

RTECSNY2766000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 350 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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