2-Pyridinemethanol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate, hydrate (2:2:1)

CAS 4383-45-3 MFCD N/A

化学结构图

4383-45-3
SMILES: CC(CN(C)CCc1ccccc1)C(O)(c1ccccc1)c1ccccn1.O=C(O)C(=O)O

化学属性

Mol. Weight459.55
Mol. FormulaC24H28N2O.C2H2O4.1/2H2O

别名和识别编码

Wiswesser Line NotationT6NJ BXQR&Y1&1N1&2R &QVVQ &QH 1/2
Chemical Name2-Pyridinemethanol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate, hydrate (2:2:1)
CAS Number4383-45-3
InChIKeyAUDOXLAQHZFHHE-UHFFFAOYSA-N
PubChem Substance ID199544
InChIInChI=1S/C24H28N2O.C2H2O4/c1-20(19-26(2)18-16-21-11-5-3-6-12-21)24(27,22-13-7-4-8-14-22)23-15-9-10-17-25-23;3-1(4)2(5)6/h3-15,17,20,27H,16,18-19H2,1-2H3;(H,3,4)(H,5,6)
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安全信息

RTECSUT5014700 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 500 mg/kg
TOXIC EFFECTS :
   Kidney, Ureter, Bladder - urine volume increased
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: 8,836,1965

系列性分类

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