1,3-Dimethyl-8-phenylxanthine 1,3-二甲基-8-苯基-3,9-二氢-1H-嘌呤-2,6-二酮
CAS 961-45-5 MFCD00005582
化学结构图
SMILES: Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O
化学属性
| Mol. Formula | C₁₃H₁₂N₄O₂ |
|---|---|
| Mol. Weight | 256.26 |
| Melting Point | >300°C |
| Boiling Point | |
| Flash Point | - |
别名和识别编码
| Chemical Name | 1,3-Dimethyl-8-phenylxanthine |
|---|---|
| Synonym | 1,3-Dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-8-phenylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| MDL Number | - |
| CAS Number | 961-45-5 |
| PubChem Substance ID | 1922 |
| Beilstein Registry Number | 261704 |
| Chemical Name Translation | 1,3-二甲基-8-苯基-3,9-二氢-1H-嘌呤-2,6-二酮 |
| InChI | InChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15) |
| Canonical SMILES | - |
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分类
- {SNA} Adenosines/P2 Nucleotide Receptor - Antagonists, Adenosines/P2 Nucleotide Receptors (Purinergics), Antagonists, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, DIG-DY, GPCR Modulators, GPCR Proteins, Modulators and Antibodies, Membrane Protein Biology Tools,
- {SNA} Adenosines/P2 Nucleotide Receptor -
相关文献及参考
- Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.
安全信息
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) REFERENCE : USXXAM United States Patent Document. (U.S. Patent Office, Box 9, Washington, DC 20231) Volume(issue)/page/year: #5032593
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 43,152,1954
