3,3-Dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl ketone

CAS 3215-89-2 MFCD N/A

化学结构图

3215-89-2
SMILES: Cc1ccccc1C(=O)CCC(C)(C)C(c1ccccc1C)N(C)C

化学属性

Mol. Weight337.55
Mol. FormulaC23H31NO

别名和识别编码

Wiswesser Line Notation1N1&YR B1&X1&1&2VR B1
Chemical NameKetone, 3,3-dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl
Synonym 3,3-Dimethyl-4-(dimethylamino)-4-(o-tolyl)butyl o-tolyl ketone
Beilstein Registry Number2757814
CAS Number3215-89-2
InChIKeyHSHAIZBRLNTKLE-UHFFFAOYSA-N
PubChem Substance ID18582
InChIInChI=1S/C23H31NO/c1-17-11-7-9-13-19(17)21(25)15-16-23(3,4)22(24(5)6)20-14-10-8-12-18(20)2/h7-14,22H,15-16H2,1-6H3
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安全信息

RTECSOB2874000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 125 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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