Theophylline, 7-(2-((3-pyridylmethyl)amino)ethyl)-

CAS 10001-43-1 MFCD00868251

化学结构图

10001-43-1
SMILES: Cn1c(=O)c2c(ncn2CCNCc2cccnc2)n(C)c1=O

化学属性

Mol. FormulaC15H18N6O2
Mol. Weight314.39

别名和识别编码

Chemical NameTheophylline, 7-(2-((3-pyridylmethyl)amino)ethyl)-
Wiswesser Line NotationT56 BN DN FNVNVJ F1 H1 B2M1- CT6NJ
Synonym 7-(2-((3-Pyridylmethyl)amino)ethyl)theophylline ES 771 Pimephylline 3,7-Dihydro-1,3-dimethyl-7-(2-((3-pyridinylmethyl)amino)ethyl)-1H-purine-2,6-dione 7-(beta-3'-Picolylaminoethyl)theophylline Pimefylline
CAS Number10001-43-1
Beilstein Registry Number1167438
PubChem Substance ID65597
InChIInChI=1S/C15H18N6O2/c1-19-13-12(14(22)20(2)15(19)23)21(10-18-13)7-6-17-9-11-4-3-5-16-8-11/h3-5,8,10,17H,6-7,9H2,1-2H3
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安全信息

RTECSXH6494000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1900 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PAHEAA Pharmaceutica Acta Helvetiae.  (Schweizerische Apothekerzeitung,
   Postfach 3006, CH3000 Bern, 7, Switzerland)  V.1-    1926-
   Volume(issue)/page/year: 48,133,1973

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 402 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   PAHEAA Pharmaceutica Acta Helvetiae.  (Schweizerische Apothekerzeitung,
   Postfach 3006, CH3000 Bern, 7, Switzerland)  V.1-    1926-
   Volume(issue)/page/year: 48,133,1973

系列性分类

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