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

Technical Data

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Computed Properties

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

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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