2-Propenoic acid, 3-(2-pyridinyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (9CI)

CAS 4415-51-4 MFCD N/A

化学结构图

4415-51-4
SMILES: O=C(/C=C/c1ccccn1)OCCN1CCN(c2ccc(Cl)cc2)CC1

化学属性

Mol. Weight371.90
Mol. FormulaC20H22ClN3O2

别名和识别编码

Chemical Name2-Propenoic acid, 3-(2-pyridinyl)-, 2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl ester (9CI)
Chemicalbook IDCB52318278
Wiswesser Line NotationT6N DNTJ AR DG& D2OV1U1- BT6NJ
Synonym 1-Piperazineethanol, 4-(p-chlorophenyl)-, 2-pyridineacrylate(ester) 2-Propenoic acid, 3-(2-pyridinyl)-, Piperazine, 1-(4-chlorophenyl)-4-(2-(3-(2-pyridyl)acryloxy)ethyl)- DA 1529
Beilstein Registry Number0572917
CAS Number4415-51-4
PubChem Substance ID6437323
InChIInChI=1S/C20H22ClN3O2/c21-17-4-7-19(8-5-17)24-13-11-23(12-14-24)15-16-26-20(25)9-6-18-3-1-2-10-22-18/h1-10H,11-16H2/b9-6+
InChIKeyBBSJPRAFZYZZGW-RMKNXTFCSA-N
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安全信息

RTECSUR9275000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 311 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle weakness
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 55,1105,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 478 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:
   10,444,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 529 mg/kg
TOXIC EFFECTS :
   Behavioral - changes in motor activity (specific assay)
   Behavioral - muscle weakness
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 55,1105,1966

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 280 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - muscle weakness
   Behavioral - analgesia
REFERENCE :
   JPMSAE Journal of Pharmaceutical Sciences.  (American Pharmaceutical Assoc.,
   2215 Constitution Ave., NW, Washington, DC 20037)  V.50-    1961-
   Volume(issue)/page/year: 55,290,19

系列性分类

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