2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate

CAS 7001-97-0 MFCD07001970

化学结构图

7001-97-0
SMILES: CC(Cn1cccc1C(=O)c1ccccc1)[NH+](C)C.O=C(O)CC(O)(CC(=O)O)C(=O)[O-]

化学属性

Mol. Weight497.53
Mol. FormulaC16H20N2O.C6H9O10

别名和识别编码

Chemical NameKetone, 1-(2-(dimethylamino)propyl)pyrrol-2-yl phenyl, citrate
Synonym 2-Benzoyl-1-(3-(dimethylamino)propyl)pyrrole citrate
CAS Number7001-97-0
InChIKeyQADJMRYFQBLPMU-UHFFFAOYSA-N
PubChem Substance ID23430
InChIInChI=1S/C16H20N2O.C6H8O7/c1-13(17(2)3)12-18-11-7-10-15(18)16(19)14-8-5-4-6-9-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-11,13H,12H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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安全信息

RTECSOB2825000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 45 mg/kg
TOXIC EFFECTS :
   Brain and Coverings - recordings from specific areas of CNS
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - other changes
REFERENCE :
   CHTPBA Chimica Therapeutica.  (Paris, France)  V.1-8, 1965-73.  For
   publisher information, see EJMCA5.  Volume(issue)/page/year: 1,127,1966

系列性分类

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