8-(4-Pyridyl)theophylline

CAS 1088-64-8 MFCD01682190

化学结构图

1088-64-8
SMILES: Cn1c(=O)c2nc(-c3ccncc3)[nH]c2n(C)c1=O

化学属性

Mol. FormulaC12H11N5O2
Mol. Weight257.28

别名和识别编码

Chemical Name8-(4-Pyridyl)theophylline
InChIKeyJYDGYFVFOFEYJU-UHFFFAOYSA-N
Wiswesser Line NotationT56 BM DN FNVNVJ F1 H1 C- DT6NJ
Synonym 8-gamma-Piridilteofillina 8-(4-Pyridyl)theophylline 8-gamma-Pyridyltheophylline 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(4-pyridinyl)-
CAS Number1088-64-8
PubChem Substance ID121006
InChIInChI=1S/C12H11N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-3-5-13-6-4-7/h3-6H,1-2H3,(H,14,15)
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安全信息

RTECSXH6493850 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 790 mg/kg
TOXIC EFFECTS :
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   103,641,1964

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 110 mg/kg
TOXIC EFFECTS :
   Vascular - regional or general arteriolar or venous dilation
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   103,641,1964

系列性分类

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