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

CAS 3458-21-7 MFCD03458217

化学结构图

3458-21-7
SMILES: COc1cc(C(=O)OCCCc2cccnc2)cc(OC)c1OC.Cl

化学属性

Mol. Weight367.86
Mol. FormulaC18H21NO5.ClH

别名和识别编码

Wiswesser Line NotationT6NJ C3OVR CO1 DO1 EO1 &GH
Chemical Name3-Pyridinepropanol, 3,4,5-trimethoxybenzoate (ester), hydrochloride
Synonym Benzoic acid, 3,4,5-trimethoxy-, (3-(3-pyridyl)propyl) ester,
CAS Number3458-21-7
InChIKeyBNWKQEOIVMZMJY-UHFFFAOYSA-N
PubChem Substance ID198833
InChIInChI=1S/C18H21NO5.ClH/c1-21-15-10-14(11-16(22-2)17(15)23-3)18(20)24-9-5-7-13-6-4-8-19-12-13;/h4,6,8,10-12H,5,7,9H2,1-3H3;1H
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安全信息

RTECSUT7520000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 650 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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