4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride

CAS 3414-31-1 MFCD N/A

化学结构图

3414-31-1
SMILES: Cl.O=C(OCCCc1ccncc1)c1ccccc1Cl

化学属性

Mol. Weight312.21
Mol. FormulaC15H14ClNO2.ClH

别名和识别编码

Wiswesser Line NotationT6NJ D3OVR BG &GH
Chemical Name4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride
Synonym Benzoic acid, 2-chloro-, (3-(4-pyridyl)propyl) ester, hydrochloride
CAS Number3414-31-1
InChIKeyNPZPATJQIUVYTP-UHFFFAOYSA-N
PubChem Substance ID201218
InChIInChI=1S/C15H14ClNO2.ClH/c16-14-6-2-1-5-13(14)15(18)19-11-3-4-12-7-9-17-10-8-12;/h1-2,5-10H,3-4,11H2;1H
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安全信息

RTECSUT7400000
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

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