3-(2-(Dimethylamino)ethyl)-5-phenylisoxazole citrate

CAS 908-52-1 MFCD00908521

化学结构图

908-52-1
SMILES: C[NH+](C)CCc1cc(-c2ccccc2)on1.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]

化学属性

Mol. Weight408.45
Mol. FormulaC13H16N2O.C6H8O7

别名和识别编码

Wiswesser Line NotationT5NOJ CR& E2N1&1 &QV1XQVQ1VQ
Chemical NameIsoxazole, 3-(2-(dimethylamino)ethyl)-5-phenyl-, citrate (1:1)
Synonym 3-(2-(Dimethylamino)ethyl)-5-phenylisoxazole citrate
CAS Number908-52-1
InChIKeyAJOONPKVRJWLBG-UHFFFAOYSA-N
PubChem Substance ID13488
InChIInChI=1S/C13H16N2O.C6H8O7/c1-15(2)9-8-12-10-13(16-14-12)11-6-4-3-5-7-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-7,10H,8-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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安全信息

RTECSNY2778000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 460 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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