3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride

CAS 3414-29-7 MFCD N/A

化学结构图

3414-29-7
SMILES: Cl.O=C(OCCCc1cccnc1)c1ccc([N+](=O)[O-])cc1

化学属性

Mol. Weight322.77
Mol. FormulaC15H14N2O4.ClH

别名和识别编码

Wiswesser Line NotationT6NJ C3OVR DNW &GH
Chemical Name3-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
Synonym Benzoic acid, 4-nitro-, (3-(3-pyridyl)propyl) ester, hydrochloride
CAS Number3414-29-7
InChIKeyPEMROFJVPZOBJI-UHFFFAOYSA-N
PubChem Substance ID201214
InChIInChI=1S/C15H14N2O4.ClH/c18-15(13-5-7-14(8-6-13)17(19)20)21-10-2-4-12-3-1-9-16-11-12;/h1,3,5-9,11H,2,4,10H2;1H
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安全信息

RTECSUT7475000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 320 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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