Theophylline, 7-phenyl-

CAS 960-61-2 MFCD00960612

化学结构图

960-61-2
SMILES: Cn1c(=O)c2c(ncn2-c2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC13H12N4O2
Mol. Weight256.29

别名和识别编码

Chemical Name1H-Purine-2,6-dione, 3,7-dihydro-7-phenyl-1,3-dimethyl-
Synonym 3,7-Dihydro-7-phenyl-1,3-dimethyl-1H-purine-2,6-dione Theophylline, 7-phenyl-
CAS Number960-61-2
Beilstein Registry Number0553490
InChIKeyPKLJTMFBRDTQNH-UHFFFAOYSA-N
PubChem Substance ID120480
InChIInChI=1S/C13H12N4O2/c1-15-11-10(12(18)16(2)13(15)19)17(8-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3
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安全信息

RTECSUO8439100 
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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