Benzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester

CAS 5014-29-9 MFCD05014299

化学结构图

5014-29-9
SMILES: CCN(CC)CCOc1c(C(=O)OC)cc([N+](=O)[O-])cc1[N+](=O)[O-]

化学属性

Mol. Weight341.36
Mol. FormulaC14H19N3O7

别名和识别编码

Wiswesser Line Notation2N2&2OR BNW DNW FVO1
Chemical NameBenzoic acid, 2-(2-(diethylamino)ethoxy)-3,5-dinitro-, methyl ester
Synonym 2-(2-(Diethylamino)ethoxy)-3,5-dinitro-benzoic acid methyl ester Sch 1308
Beilstein Registry Number2677561
CAS Number5014-29-9
InChIKeyNCAUZLQEZPYWLI-UHFFFAOYSA-N
PubChem Substance ID21112
InChIInChI=1S/C14H19N3O7/c1-4-15(5-2)6-7-24-13-11(14(18)23-3)8-10(16(19)20)9-12(13)17(21)22/h8-9H,4-7H2,1-3H3
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安全信息

RTECSDG8485000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - convulsions or effect on seizure threshold
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   101,785,1962

系列性分类

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