1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-

CAS 966-19-8 MFCD N/A

化学结构图

966-19-8
SMILES: Cn1c(=O)c2c(nc(Cl)n2-c2ccc(N)cc2)n(C)c1=O

化学属性

Mol. FormulaC13H12ClN5O2
Mol. Weight305.75

别名和识别编码

Chemical Name1H-Purine-2,6-dione, 3,7-dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-
Synonym 3,7-Dihydro-7-(4-aminophenyl)-8-chloro-1,3-dimethyl-1H-purine-2,6-dione Theophylline, 7-(p-aminophenyl)-8-chloro-
CAS Number966-19-8
Beilstein Registry Number0570906
InChIKeyNJHDGAHARFYEIK-UHFFFAOYSA-N
PubChem Substance ID120494
InChIInChI=1S/C13H12ClN5O2/c1-17-10-9(11(20)18(2)13(17)21)19(12(14)16-10)8-5-3-7(15)4-6-8/h3-6H,15H2,1-2H3
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安全信息

RTECSUO8409500 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 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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