8-Chloro-7-phenyltheophylline

CAS 963-42-8 MFCD N/A

化学结构图

963-42-8
SMILES: Cn1c(=O)c2c(nc(Cl)n2-c2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC13H11ClN4O2
Mol. Weight290.73

别名和识别编码

Chemical Name8-Chloro-7-phenyltheophylline
Synonym 3,7-Dihydro-8-chloro-1,3-dimethyl-7-phenyl-1H-purine-2,6-dione Theophylline, 8-chloro-7-phenyl-
CAS Number963-42-8
Beilstein Registry Number0561092
InChIKeyJZKVPVQCAZFKJT-UHFFFAOYSA-N
PubChem Substance ID120486
InChIInChI=1S/C13H11ClN4O2/c1-16-10-9(11(19)17(2)13(16)20)18(12(14)15-10)8-6-4-3-5-7-8/h3-7H,1-2H3
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安全信息

RTECSUO8413202 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 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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