Phenol, 3-(3-(1-benzoylmethyl-2-methyl-3-propyl)piperidyl)-, hydrochloride

CAS 3145-31-1 MFCD01707778

化学结构图

3145-31-1
SMILES: CCC[C@]1(c2cccc(O)c2)CCCN(CC(=O)c2ccccc2)[C@@H]1C.Cl

化学属性

Mol. FormulaC23H29NO2.ClH
Mol. Weight387.99

别名和识别编码

Chemical NamePhenol, 3-(3-(1-benzoylmethyl-2-methyl-3-propyl)piperidyl)-, hydrochloride
InChIKeyNCFJVEJKXIOGJW-UHFFFAOYSA-N
Wiswesser Line NotationT6NTJ A1VR& B1 C3 CR CQ &GH
Synonym Acetophenone, 2-(3-(m-hydroxyphenyl)-2-methyl-3-propylpiperidino)-,
CAS Number3145-31-1
PubChem Substance ID201047
InChIInChI=1S/C23H29NO2.ClH/c1-3-13-23(20-11-7-12-21(25)16-20)14-8-15-24(18(23)2)17-22(26)19-9-5-4-6-10-19;/h4-7,9-12,16,18,25H,3,8,13-15,17H2,1-2H3;1H
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安全信息

RTECSSJ7550000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 171 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: 8,313,1965

系列性分类

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