delta(sup 2)-1,2,4-Triazolin-5-one, 1-methyl-3-(5-nitro-2-furyl)-

CAS 1600-61-9 MFCD01600619

化学结构图

1600-61-9
SMILES: Cn1nc(-c2ccc([N+](=O)[O-])o2)[nH]c1=O

化学属性

Mol. Weight210.17
Mol. FormulaC7H6N4O4

别名和识别编码

Chemical Namedelta(sup 2)-1,2,4-Triazolin-5-one, 1-methyl-3-(5-nitro-2-furyl)-
Chemicalbook IDCB22197135
Synonym 1-Methyl-3-(5-nitro-2-furyl)-delta(sup 2)-1,2,4-triazolin-5-one
Wiswesser Line NotationT5OJ BNW E- ET5MVNNJ C1
Beilstein Registry Number0806881
CAS Number1600-61-9
InChIKeyVPGANWWUEZSJQK-UHFFFAOYSA-N
PubChem Substance ID135570484
InChIInChI=1S/C7H6N4O4/c1-10-7(12)8-6(9-10)4-2-3-5(15-4)11(13)14/h2-3H,1H3,(H,8,9,12)
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安全信息

RTECSXZ5470000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 2910 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: 16,312,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 880 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: 16,312,1973

系列性分类

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