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    CAS 536759-91-8

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    CAS 536759-91-8
    Also known as: 536759-91-8, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic acid ethyl ester, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate, Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-ca, Ethyl1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate, Ec 611-033-0
    Molecular Formula
    C22H20N4O6
    Molecular Weight
    436.4  g/mol
    InChI Key
    RQNAOIQEGPVYTC-UHFFFAOYSA-N
    1 2D Structure

    CAS 536759-91-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C22H20N4O6/c1-3-32-22(28)19-18-12-13-24(14-4-6-16(7-5-14)26(29)30)21(27)20(18)25(23-19)15-8-10-17(31-2)11-9-15/h4-11H,3,12-13H2,1-2H3
    2.1.3 InChI Key
    RQNAOIQEGPVYTC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=NN(C2=C1CCN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 536759-91-8

    2. 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

    3. Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxylate

    4. Ethyl 1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-ca

    5. Ethyl1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylate

    6. Ec 611-033-0

    7. Schembl8243908

    8. Amy8614

    9. Dtxsid10470997

    10. Bcp12343

    11. Cs-m0374

    12. Mfcd18251627

    13. Zinc34636684

    14. Akos016003678

    15. 1h-pyrazolo(3,4-c)pyridine-3-carboxylic Acid, 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-, Ethyl Ester

    16. Ac-26842

    17. Da-16945

    18. Ds-17571

    19. Ft-0698545

    20. F20580

    21. A850069

    22. J-514039

    23. 1-(4-methoxy-phenyl)-6-(4-nitro-phenyl)-7-oxo-4,5,6,7-tetrahydro-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

    24. 4,5,6,7-tetrahydro-1-(4-methoxyphenyl)-6-(4-nitrophenyl)-7-oxo-1h-pyrazolo[3,4-c]pyridine-3-carboxylic Acid Ethyl Ester

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 436.4 g/mol
    Molecular Formula C22H20N4O6
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass436.13828437 g/mol
    Monoisotopic Mass436.13828437 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity699
    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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      SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma i...
      SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well as international market. SS Pharma’s research activities extend from the development of active pharmaceuticals to fixed dose formulations for regulated markets. Its manufacturing facilities are state-of-the-art, multipurpose sites that comply with cGMP standards and meet the requirements of the US and EU drug regulatory authorities. SS Pharma is a CGMP, ISO 9001-2008 and ISO 14000:2004 certified company.
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        Beijing Cooperate Pharmaceutical Co.,Ltd is a high-tech company specializing in pharmaceutical and advanc...
        Beijing Cooperate Pharmaceutical Co.,Ltd is a high-tech company specializing in pharmaceutical and advanced material, involving API,pharmaceutical intermediates and petrochemical additives . we are the direct producer of some kinds of new pharmaceutical intermediates products what can be use for the treatment of disease of heart head blood-vessel, cancer,mental sickness and respiratory disease .
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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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            4,5,6,7-Tetrahydro-1-(4-methoxyphen...
            Speranza Chemical is a professional manufacturer of Fine Chemicals for more than 10years. Our Chemical fa...
            Speranza Chemical is a professional manufacturer of Fine Chemicals for more than 10years. Our Chemical factory locates in Handan Chemical Industry Zone, Hebei province with total invested of $12 million and area of 80,000 m². We focus on production of P-tert-butylbenzoic acid (PTBBA) and its Methyl Ester, 5-Chlorovaleryl chloride, 1-Bromonaphthalene and other Organic Bromide/Iodide and its derivatives. Quality is our Culture and our Promise to our customers all over the world.
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