2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride

CAS 3414-23-1 MFCD N/A

化学结构图

3414-23-1
SMILES: COc1cc(C(=O)OCCCc2ccccn2)cc(OC)c1OC.Cl

化学属性

Mol. Weight367.86
Mol. FormulaC18H21NO5.ClH

别名和识别编码

Wiswesser Line NotationT6NJ B3OVR CO1 DO1 EO1 &GH
Chemical Name2-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Synonym Benzoic acid, 3,4,5-trimethoxy-, (3-(2-pyridyl)propyl) ester,
CAS Number3414-23-1
InChIKeyTWCICHBHALIBEQ-UHFFFAOYSA-N
PubChem Substance ID201202
InChIInChI=1S/C18H21NO5.ClH/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)24-10-6-8-14-7-4-5-9-19-14;/h4-5,7,9,11-12H,6,8,10H2,1-3H3;1H
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安全信息

RTECSUT7505000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 290 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: 9,151,1966

系列性分类

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