3,9-Dimethylxanthine - CAS 15837-08-8
Catalog: |
BB011407 |
Product Name: |
3,9-Dimethylxanthine |
CAS: |
15837-08-8 |
Synonyms: |
3,9-dimethylpurine-2,6-dione |
IUPAC Name: | 3,9-dimethylpurine-2,6-dione |
Description: | 3,9-Dimethylxanthine (CAS# 15837-08-8 ) is a useful research chemical. |
Molecular Weight: | 180.16 |
Molecular Formula: | C7H8N4O2 |
Canonical SMILES: | CN1C=NC2=C1N(C(=O)NC2=O)C |
InChI: | InChI=1S/C7H8N4O2/c1-10-3-8-4-5(12)9-7(13)11(2)6(4)10/h3H,1-2H3,(H,9,12,13) |
InChI Key: | HEOWZFHIJSYJIC-UHFFFAOYSA-N |
Density: | 1.6 g/cm3 |
MDL: | MFCD00042777 |
LogP: | -1.03970 |
Publication Number | Title | Priority Date |
CN-109912598-A | Nucleoside derivate and its application for preventing and treating inflammatory reaction | 20190327 |
WO-2020192665-A1 | Nucleoside derivative for preventing and treating inflammation and application thereof | 20190327 |
CN-108066364-A | Camel opzyme, its preparation method and its application of synthesis | 20161117 |
CH-713107-A2 | Synthetic camel organ extracts, process for their preparation and their use. | 20161104 |
JP-2019532987-A | Synthetic camel organ extract, process for its production and use thereof | 20161104 |
PMID | Publication Date | Title | Journal |
8230124 | 19931029 | Synthesis of paraxanthine analogs (1,7-disubstituted xanthines) and other xanthines unsubstituted at the 3-position: structure-activity relationships at adenosine receptors | Journal of medicinal chemistry |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.06472551 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.06472551 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 67.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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