2-Methyl-3-(methylphenethylamino)-1,1-di-2-thienyl-1-propanol oxalate

CAS 4795-12-4 MFCD04795124

化学结构图

4795-12-4
SMILES: CC(CN(C)CCc1ccccc1)C(O)(c1cccs1)c1cccs1.O=C(O)C(=O)O

化学属性

Mol. Weight461.63
Mol. FormulaC21H25NOS2.C2H2O4

别名和识别编码

Wiswesser Line NotationT5SJ BXQY1&1N1&2R&- BT5SJ &QVVQ
Chemical Name1-Propanol, 1,1-di-2-thienyl-2-methyl-3-(methylphenethylamino)-, oxalate (1:1)
Synonym 1,1-Di-2-thienyl-2-methyl-3-(methylphenethylamino)-1-propanol oxalate 2-Methyl-3-(methylphenethylamino)-1,1-di-2-thienyl-1-propanol oxalate
CAS Number4795-12-4
InChIKeyKZYHHRLSYCKZOK-UHFFFAOYSA-N
PubChem Substance ID199726
InChIInChI=1S/C21H25NOS2.C2H2O4/c1-17(16-22(2)13-12-18-8-4-3-5-9-18)21(23,19-10-6-14-24-19)20-11-7-15-25-20;3-1(4)2(5)6/h3-11,14-15,17,23H,12-13,16H2,1-2H3;(H,3,4)(H,5,6)
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安全信息

RTECSUB4205000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 1500 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: 8,836,1965

系列性分类

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