7-Benzyltheophylline -

CAS 1807-85-8 MFCD00685506

化学结构图

1807-85-8
SMILES: Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O

化学属性

Mol. FormulaC₁₄H₁₄N₄O₂
Mol. Weight270.29
Boiling Point-
Flash Point-

别名和识别编码

Chemical Name7-Benzyltheophylline
Synonym 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(phenylmethyl)- 7-Benzyltheophylline
CAS Number1807-85-8
Beilstein Registry Number0305370
InChIKeyWXWQVDBZDNPNLZ-UHFFFAOYSA-N
LabNetwork Molecule IDLN00491745
PubChem Substance ID95028
InChIInChI=1S/C14H14N4O2/c1-16-12-11(13(19)17(2)14(16)20)18(9-15-12)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
MDL Number-
Chemical Name Translation-
Canonical SMILES-
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安全信息

RTECSXH4790000 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 228 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 116,343,1956

系列性分类

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