1,4-Cyclohexanebis(methylamine), N,N'-bis(2,3-dimethoxybenzyl)-, dihydrochloride

CAS 1257-13-2 MFCD N/A

化学结构图

1257-13-2
SMILES: COc1cccc(CNCC2CCC(CNCc3cccc(OC)c3OC)CC2)c1OC.Cl.Cl

化学属性

Mol. Weight515.58
Mol. FormulaC26H38N2O4.2ClH

别名和识别编码

Wiswesser Line NotationL6TJ A1M1R BO1 CO1& D1M1R BO1 CO1 &GH 2
Chemical Name1,4-Cyclohexanebis(methylamine), N,N'-bis(2,3-dimethoxybenzyl)-, dihydrochloride
Synonym Benzylamine, N,N'-(1,4-cyclohexylenedimethylene)bis(2,3-dimethoxy-,
CAS Number1257-13-2
InChIKeyCCDDAZAJRNNGBK-UHFFFAOYSA-N
PubChem Substance ID102066
InChIInChI=1S/C26H38N2O4.2ClH/c1-29-23-9-5-7-21(25(23)31-3)17-27-15-19-11-13-20(14-12-19)16-28-18-22-8-6-10-24(30-2)26(22)32-4;;/h5-10,19-20,27-28H,11-18H2,1-4H3;2*1H
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安全信息

RTECSGU7059000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
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: 9,329,1966

系列性分类

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