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    CAS 93703-24-3

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    CAS 93703-24-3
    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
    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
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      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...
      Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.
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        The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...
        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 Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.
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          Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
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            Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
            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,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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              Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
              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. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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                Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...
                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 aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.
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                  The division was established in 1981 as a Specialty Chemicals Division with a focus to manufacture specia...
                  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 been renamed as ‘Pharmaceuticals & Chemicals Division’ to focus strongly on the manufacturing of active pharmaceutical ingredients and pharmaceutical intermediates. Located at Roha, the manufacturing site is about 140 km from the city of Mumbai and occupies an area of 40,000 sq.m. The division employs over 200 people and has the capacity to develop and execute a range of chemical processes. It also provides for innovative process design and scale-up.
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                    OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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