1,5-Dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-1-pentanone citrate

CAS 4219-99-2 MFCD04219992

化学结构图

4219-99-2
SMILES: CN(C)C(C1CCCCC1)C(C)(C)CCC(=O)C1CCCCC1.O=C(O)CC(O)(CC(=O)O)C(=O)O

化学属性

Mol. Weight513.75
Mol. FormulaC21H39NO.C6H8O7

别名和识别编码

Wiswesser Line NotationL6TJ AYN1&1&X1&1&2V- AL6TJ &QV1XQVQ1VQ
Chemical Name1-Pentanone, 1,5-dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-, citrate
Synonym 1,5-Dicyclohexyl-4,4-dimethyl-5-(dimethylamino)-1-pentanone citrate
CAS Number4219-99-2
InChIKeyJUAUECHEOQXPLO-UHFFFAOYSA-N
PubChem Substance ID199459
InChIInChI=1S/C21H39NO.C6H8O7/c1-21(2,16-15-19(23)17-11-7-5-8-12-17)20(22(3)4)18-13-9-6-10-14-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h17-18,20H,5-16H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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安全信息

RTECSSA8250000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 750 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
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: 9,187,1966

系列性分类

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