Imidazole-1-acetic acid, 2-methyl-5-nitro-, ethyl ester

CAS 1016-40-6 MFCD01161102

化学结构图

1016-40-6
SMILES: CCOC(=O)Cn1c([N+](=O)[O-])cnc1C

化学属性

Mol. FormulaC8H11N3O4
Mol. Weight213.22

别名和识别编码

Chemical NameImidazole-1-acetic acid, 2-methyl-5-nitro-, ethyl ester
InChIKeyCKGGIKOPFUMXET-UHFFFAOYSA-N
Wiswesser Line NotationT5N CNJ A1VO2 B1 ENW
Synonym 2-Methyl-5-nitroimidazole-1-acetic acid, ethyl ester
CAS Number1016-40-6
Beilstein Registry Number0617040
PubChem Substance ID13909
InChIInChI=1S/C8H11N3O4/c1-3-15-8(12)5-10-6(2)9-4-7(10)11(13)14/h4H,3,5H2,1-2H3
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安全信息

RTECSNI3390000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 3800 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: 11,167,1968

系列性分类

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