Benzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride

CAS 4544-14-3 MFCD04544143

化学结构图

4544-14-3
SMILES: O=C(OCC[NH+]1CCCC1)C(O)(c1ccccc1)c1ccccc1.[Cl-]

化学属性

Mol. Weight361.90
Mol. FormulaC20H23NO3.ClH

别名和识别编码

Wiswesser Line NotationT5NTJ A2OVXQR&R &GH
Chemical NameBenzilic acid, 2-(1-pyrrolidinyl)ethyl ester, hydrochloride
Synonym ANC 66 Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-(1-pyrrolidinyl)ethyl
CAS Number4544-14-3
InChIKeyMADQXQUXQNQNPF-UHFFFAOYSA-N
PubChem Substance ID20672
InChIInChI=1S/C20H23NO3.ClH/c22-19(24-16-15-21-13-7-8-14-21)20(23,17-9-3-1-4-10-17)18-11-5-2-6-12-18;/h1-6,9-12,23H,7-8,13-16H2;1H
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安全信息

RTECSDD4600000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PJPPAA Polish Journal of Pharmacology and Pharmacy.  (ARS Polona, POB 1001,
   00-068 Warsaw 1, Poland) V.25-    1973-  Volume(issue)/page/year:
   30,497,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 43 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique.
   (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France)
   V.9-    1974-  Volume(issue)/page/year: 9,404,1974

系列性分类

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