1,2-Diphenyl-3-methyl-4-(methylphenethylamino)-2-butanol oxalate

CAS 4838-43-1 MFCD04838431

化学结构图

4838-43-1
SMILES: CC(CN(C)CCc1ccccc1)C(O)(Cc1ccccc1)c1ccccc1.O=C(O)C(=O)O

化学属性

Mol. Weight463.62
Mol. FormulaC26H31NO.C2H2O4

别名和识别编码

Wiswesser Line NotationR2N1&1Y1&XQR&1R &QVVQ
Chemical NamePhenethyl alcohol, alpha-(1-methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-, oxalate
Synonym 2-Butanol, 1,2-diphenyl-3-methyl-4-(methylphenethylamino)-, oxalate 1,2-Diphenyl-3-methyl-4-(methylphenethylamino)-2-butanol oxalate alpha-(1-Methyl-2-(methylphenethylamino)ethyl)-alpha-phenyl-phenethyl
CAS Number4838-43-1
InChIKeyNUZOSTFTNYATKN-UHFFFAOYSA-N
PubChem Substance ID199743
InChIInChI=1S/C26H31NO.C2H2O4/c1-22(21-27(2)19-18-23-12-6-3-7-13-23)26(28,25-16-10-5-11-17-25)20-24-14-8-4-9-15-24;3-1(4)2(5)6/h3-17,22,28H,18-21H2,1-2H3;(H,3,4)(H,5,6)
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安全信息

RTECSSG8605000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 750 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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