3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione

CAS 963-48-4 MFCD00963484

化学结构图

963-48-4
SMILES: Cn1c(=O)c2c(ncn2-c2ccc(N)cc2)n(C)c1=O

化学属性

Mol. FormulaC13H13N5O2
Mol. Weight271.31

别名和识别编码

Chemical Name7-(p-Aminophenyl)theophylline
Synonym 3,7-Dihydro-7-(4-aminophenyl)-1,3-dimethyl-1H-purine-2,6-dione Theophylline, 7-(p-aminophenyl)- 7-(p-Aminofenil)teofillina
CAS Number963-48-4
Beilstein Registry Number0562232
InChIKeyUZGPMRNAUABIIA-UHFFFAOYSA-N
PubChem Substance ID100675
InChIInChI=1S/C13H13N5O2/c1-16-11-10(12(19)17(2)13(16)20)18(7-15-11)9-5-3-8(14)4-6-9/h3-7H,14H2,1-2H3
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安全信息

RTECSUO8409700 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 75 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia,
   Italy)  V.8-43 1953-88 For publisher information, see FRMCE8
   Volume(issue)/page/year: 34,890,1979

系列性分类

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