alpha-Benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)phenethyl alcohol oxalate

CAS 4119-02-2 MFCD04119022

化学结构图

4119-02-2
SMILES: CC(CN(C)CCc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1.O=C(O)C(=O)O

化学属性

Mol. Weight477.65
Mol. FormulaC27H33NO.C2H2O4

别名和识别编码

Wiswesser Line NotationR2N1&1Y1&XQ1R&1R &QVVQ
Chemical NamePhenethyl alcohol, alpha-benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)-, oxalate
Synonym alpha-Benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)phenethyl
CAS Number4119-02-2
InChIKeyRGIXIHSELFDBBY-UHFFFAOYSA-N
PubChem Substance ID199394
InChIInChI=1S/C27H33NO.C2H2O4/c1-23(22-28(2)19-18-24-12-6-3-7-13-24)27(29,20-25-14-8-4-9-15-25)21-26-16-10-5-11-17-26;3-1(4)2(5)6/h3-17,23,29H,18-22H2,1-2H3;(H,3,4)(H,5,6)
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安全信息

RTECSSG7820000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Mammal - species unspecified
DOSE/DURATION           : 375 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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