3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate

CAS 912-12-9 MFCD N/A

化学结构图

912-12-9
SMILES: O=C(O)CC(O)(CC(=O)O)C(=O)[O-].c1ccc(-c2cc(CC[NH+]3CCCCC3)on2)cc1

化学属性

Mol. Weight448.52
Mol. FormulaC16H20N2O.C6H8O7

别名和识别编码

Wiswesser Line NotationT6NTJ A2- CT5NOJ ER &QV1XQVQ1VQ
Chemical NameIsoxazole, 3-phenyl-5-(2-piperidinoethyl)-, citrate
Synonym 3-Phenyl-5-(2-piperidinoethyl)isoxazole citrate 3-phenyl-5-(2-piperidinoethyl)isoxazole 3-phenyl-5-(2-piperidinoethyl)isoxazole citrate 3-phenyl-5-(2-piperidinoethyl)isoxazole monocitrate
CAS Number912-12-9
InChIKeyWUYWHUFUKXULGK-UHFFFAOYSA-N
PubChem Substance ID13498
InChIInChI=1S/C16H20N2O.C6H8O7/c1-3-7-14(8-4-1)16-13-15(19-17-16)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

RTECSNY2934500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 398 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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