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    Also known as: 93703-24-3, 8-bromo-3-methyl-xanthine, 8-bromo-3-methylxanthine, 8-bromo-3-methyl-7h-purine-2,6-dione, 3-methyl-8-bromoxanthine, 8-bromo-3-methyl-3,7-dihydropurine-2,6-dione
    Molecular Formula
    C6H5BrN4O2
    Molecular Weight
    245.03  g/mol
    InChI Key
    QTEQVEJOXGBDGI-UHFFFAOYSA-N
    CAS 93703-24-3
    1 2D Structure

    CAS 93703-24-3

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    8-bromo-3-methyl-7H-purine-2,6-dione
    2.1.2 InChI
    InChI=1S/C6H5BrN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)
    2.1.3 InChI Key
    QTEQVEJOXGBDGI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=C(C(=O)NC1=O)NC(=N2)Br
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 93703-24-3

    2. 8-bromo-3-methyl-xanthine

    3. 8-bromo-3-methylxanthine

    4. 8-bromo-3-methyl-7h-purine-2,6-dione

    5. 3-methyl-8-bromoxanthine

    6. 8-bromo-3-methyl-3,7-dihydropurine-2,6-dione

    7. 8-bromo-3-methyl-3,7-dihydro-1h-purine-2,6-dione

    8. 8-bromo-3-methyl-3,7-dihydro-purine-2,6-dione

    9. 8-bromo-3-methyl-2,3,6,7-tetrahydro-1h-purine-2,6-dione

    10. Mfcd00462528

    11. 1h-purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-

    12. 8-bromo-3,9-dihydro-3-methyl-1h-purine-2,6-dione

    13. 8-bromo3-methyl-xanthine

    14. 3-methyl-8-bromo-xanthine

    15. 8-bromo-3-methyl Xanthine

    16. 8-bromo-3-methyl-3,9-dihydro-purine-2,6-dione

    17. Oprea1_287813

    18. Oprea1_865455

    19. Amy492

    20. Schembl1241218

    21. Schembl15924314

    22. Dtxsid50364285

    23. Hms1649i20

    24. Bcp12331

    25. Bbl012668

    26. Stk656575

    27. Stk803300

    28. Akos000267178

    29. Akos005587316

    30. Zinc100007802

    31. Cs-w019625

    32. Ac-26251

    33. As-19142

    34. Sy038324

    35. Db-079665

    36. B4134

    37. Ft-0688013

    38. Mls-0463078.0001

    39. 8-bromo-3-methyl-1h-purine-2,6(3h,9h)-dione

    40. A855277

    41. Sr-01000506601

    42. 8-bromo-3-methyl-1h-purine-2,6(3h,7h)- Dione

    43. J-519386

    44. Sr-01000506601-1

    45. F0373-0001

    46. F0381-3715

    47. 8-bromo-6-hydroxy-3-methyl-3,7-dihydro-2h-purin-2-one

    48. 8-bromo-3-methyl-1h-purine-2,6(3h,7h)-dione;8-bromo-3-methylxanthine

    2.3 Create Date
    2005-07-11
    3 Chemical and Physical Properties
    Molecular Weight 245.03 g/mol
    Molecular Formula C6H5BrN4O2
    XLogP30.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass243.95959 g/mol
    Monoisotopic Mass243.95959 g/mol
    Topological Polar Surface Area78.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity271
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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    SUPPLIERS

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    01

    Bakul Group

    8-Bromo-3-methyl xanthine
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    Bakul Group

    India
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    8-Bromo-3-methyl xanthine

    CAS Number : 93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and S...

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    Bulat Pharmaceutical

    3-Methyl-8-bromoxanthine
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    Bulat Pharmaceutical

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    3-Methyl-8-bromoxanthine

    CAS Number : 93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermed...

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    03

    Cangzhou Senary Chemical Science-tech ...

    8-bromo-3-methylxanthine
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    Cangzhou Senary Chemical Science-tech ...

    China
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    8-bromo-3-methylxanthine

    CAS Number : 93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cang...

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    Jinan Lead Pharmaceutical Technology

    8-Bromo-3-methyl-xanthine
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    Jinan Lead Pharmaceutical Technology

    China
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    8-Bromo-3-methyl-xanthine

    CAS Number : CAS-93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. Th...

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    Kimia Biosciences

    8-Bromo-3-methyl-xanthine
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    8-Bromo-3-methyl-xanthine

    CAS Number : 93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia ai...

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    Kores India Limited

    8-Bromo-3-methyl xanthine
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    8-Bromo-3-methyl xanthine

    CAS Number : 93703-24-3

    End Use API :

    End Use API : Linagliptin

    About the Company : The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specialty chemicals and pharmaceutical intermediates. In April 2006, the division has ...

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