8-(3-Pyridyl)theophylline

CAS 1029-62-5 MFCD01682189

化学结构图

1029-62-5
SMILES: Cn1c(=O)c2nc(-c3cccnc3)[nH]c2n(C)c1=O

化学属性

Mol. FormulaC12H11N5O2
Mol. Weight257.28

别名和识别编码

Chemical Name8-(3-Pyridyl)theophylline
Wiswesser Line NotationT56 BM DN FNVNVJ F1 H1 C- CT6NJ
Synonym 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(3-pyridinyl)- 8-beta-Pyridyltheophylline 8-(3-Pyridyl)theophylline 8-beta-Piridilteofillina
Beilstein Registry Number0621137
CAS Number1029-62-5
InChIKeyXUYWNICQFANXQY-UHFFFAOYSA-N
PubChem Substance ID100380
InChIInChI=1S/C12H11N5O2/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7/h3-6H,1-2H3,(H,14,15)
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安全信息

RTECSXH6493800 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 158 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       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1 gm/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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