4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride

CAS 3684-25-1 MFCD N/A

化学结构图

3684-25-1
SMILES: COc1cc(C(=O)OC2CCN(CCc3ccccc3)CC2)cc(OC)c1OC.Cl

化学属性

Mol. Weight437.00
Mol. FormulaC23H30NO5.ClH

别名和识别编码

Synonym Benzoic acid, 3,4,5-trimethoxy-, 1-phenethyl-4-piperidinyl ester,
Wiswesser Line NotationT6NTJ A2R& DOVR CO1 DO1 EO1 &GH
Chemical Name4-Piperidinol, 1-phenethyl-, 3,4,5-trimethoxybenzoate, hydrochloride
CAS Number3684-25-1
InChIKeyVVGKQRFDRAPBDF-UHFFFAOYSA-N
PubChem Substance ID199086
InChIInChI=1S/C23H29NO5.ClH/c1-26-20-15-18(16-21(27-2)22(20)28-3)23(25)29-19-10-13-24(14-11-19)12-9-17-7-5-4-6-8-17;/h4-8,15-16,19H,9-14H2,1-3H3;1H
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安全信息

RTECSTN7860000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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: 7,319,1964

系列性分类

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