CAS 2309-49-1

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

Virtual Booth

Contact Supplier

Jai Radhe Sales is your partner for all your sourcing needs.

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Tetramethyluric acid, 2309-49-1, Theacrine, Temurin, Temorine, 1,3,7,9-tetramethyl-1h-purine-2,6,8(3h,7h,9h)-trione

Molecular Formula

C₉H₁₂N₄O₃

Molecular Weight

224.22 g/mol

InChI Key

QGDOQULISIQFHQ-UHFFFAOYSA-N

FDA UNII

EJ939L81MY

tetramethyluric acid is a natural product found in Herrania cuatrecasana, Herrania nitida, and other organisms with data available.

1 2D Structure

CAS 2309-49-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,7,9-tetramethylpurine-2,6,8-trione

2.1.2 InChI

InChI=1S/C9H12N4O3/c1-10-5-6(11(2)8(10)15)12(3)9(16)13(4)7(5)14/h1-4H3

2.1.3 InChI Key

QGDOQULISIQFHQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C

2.2 Other Identifiers

2.2.1 UNII

EJ939L81MY

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tetramethyluric Acid

2. Theacrine

2.3.2 Depositor-Supplied Synonyms

1. Tetramethyluric Acid

2. 2309-49-1

3. Theacrine

4. Temurin

5. Temorine

6. 1,3,7,9-tetramethyl-1h-purine-2,6,8(3h,7h,9h)-trione

7. 1,3,7,9-tetramethylpurine-2,6,8-trione

8. Tetramethyl Uric Acid

9. Ba 2750

10. Teacrine

11. Uric Acid, 1,3,7,9-tetramethyl-

12. 1h-purine-2,6,8(3h)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-

13. Mfcd00042781

14. Mls002638067

15. Ej939l81my

16. Nsc-8809

17. 1,3,7,9-tetramethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione

18. Tetramethyl-2,3,6,7,8,9-hexahydro-1h-purine-2,6,8-trione

19. Nsc 8809

20. Einecs 218-994-1

21. Ai3-52596

22. 1,3,7,9-tetramethylurate

23. Unii-ej939l81my

24. 1,7,9-tetramethyluric Acid

25. Chembl143715

26. Megxp0_001699

27. Schembl2817943

28. Uric Acid,3,7,9-tetramethyl-

29. Acon1_000549

30. Dtxsid90177659

31. Nsc8809

32. 1,3,7, 9-tetramethyluric Acid

33. Chebi:139388

34. Zinc392595

35. Amy36785

36. Ds-3244

37. S11881

38. Ncgc00168972-01

39. Smr001547560

40. Sy074330

41. Cs-0069995

42. Ft-0749152

43. 1,3,7,9-tetramethyluric Acid [who-dd]

44. A924685

45. Brd-k97243111-001-01-9

46. Q12646548

47. 1,3,7,9-tetramethyl-7,9-dihydro-3h-purine-2,6,8-trione

48. 1,3,7,9-tetramethyl-7,9-dihydro-1h-purine-2,6,8(3h)-trione #

49. 1h-purine-2,8(3h)-trione, 7,9-dihydro-1,3,7,9-tetramethyl-

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂N₄O₃
Molecular Weight	224.22 g/mol
XLogP3	-0.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	224.09094026 g/mol
Monoisotopic Mass	224.09094026 g/mol
Topological Polar Surface Area	64.2 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	442
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 2309-49-1 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?