4-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)benzhydrol oxalate

CAS 4059-25-0 MFCD N/A

化学结构图

4059-25-0
SMILES: CC(CN(C)C)C(O)(c1ccccc1)c1ccc(Cl)cc1.O=C(O)C(=O)O

化学属性

Mol. Weight393.90
Mol. FormulaC18H22ClNO.C2H2O4

别名和识别编码

Wiswesser Line NotationGR DXQR&Y1&1N1&1 &QVVQ
Chemical NameBenzhydrol, 4-chloro-alpha-(2-(dimethylamino)-1-methylethyl)-, oxalate (1:1)
Synonym 4-Chloro-alpha-(2-(dimethylamino)-1-methylethyl)benzhydrol oxalate 1-Propanol, 1-p-chlorophenyl-3-dimethylamino-2-methyl-1-phenyl-, oxalate
CAS Number4059-25-0
InChIKeyVFWGOIAHNNKTRW-UHFFFAOYSA-N
PubChem Substance ID199354
InChIInChI=1S/C18H22ClNO.C2H2O4/c1-14(13-20(2)3)18(21,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;3-1(4)2(5)6/h4-12,14,21H,13H2,1-3H3;(H,3,4)(H,5,6)
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安全信息

RTECSDC7603000 
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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