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

CAS 3414-30-0 MFCD03414300

化学结构图

3414-30-0
SMILES: Cl.O=C(OCCCc1ccncc1)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 D3OVR DNW &GH
Chemical Name4-Pyridinepropanol, 4-nitrobenzoate (ester), hydrochloride
Synonym Benzoic acid, 4-nitro-, (3-(4-pyridyl)propyl) ester, hydrochloride
CAS Number3414-30-0
InChIKeyZNXASGZRDKKZSW-UHFFFAOYSA-N
PubChem Substance ID201216
InChIInChI=1S/C15H14N2O4.ClH/c18-15(13-3-5-14(6-4-13)17(19)20)21-11-1-2-12-7-9-16-10-8-12;/h3-10H,1-2,11H2;1H
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安全信息

RTECSUT7490000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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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