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    CAS 429659-01-8

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    CAS 429659-01-8
    Also known as: 429659-01-8, Dabigatran impurity 14, Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate, Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate, Ethyl3-(4-(methylamino)-3-nitro-n-(pyridin-2-yl)benzamido)propanoate, Ethyl 3-(4-(methylamino)-3-nitro-n-(pyridin-2-yl)benzamido) propanoate
    Molecular Formula
    C18H20N4O5
    Molecular Weight
    372.4  g/mol
    InChI Key
    FYSFQBXGCDIVMA-UHFFFAOYSA-N
    1 2D Structure

    CAS 429659-01-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate
    2.1.2 InChI
    InChI=1S/C18H20N4O5/c1-3-27-17(23)9-11-21(16-6-4-5-10-20-16)18(24)13-7-8-14(19-2)15(12-13)22(25)26/h4-8,10,12,19H,3,9,11H2,1-2H3
    2.1.3 InChI Key
    FYSFQBXGCDIVMA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 429659-01-8

    2. Dabigatran Impurity 14

    3. Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl](pyridin-2-yl)amino]propanoate

    4. Ethyl 3-[[4-(methylamino)-3-nitrobenzoyl]-pyridin-2-ylamino]propanoate

    5. Ethyl3-(4-(methylamino)-3-nitro-n-(pyridin-2-yl)benzamido)propanoate

    6. Ethyl 3-(4-(methylamino)-3-nitro-n-(pyridin-2-yl)benzamido) Propanoate

    7. Ethyl N-[4-(methylamino)-3-nitrobenzoyl]-n-pyridin-2-yl-ss-alaninate

    8. Schembl327138

    9. Dtxsid501025573

    10. Bcp12900

    11. Cs-m2455

    12. Mfcd09833623

    13. Zinc22011559

    14. Akos015924422

    15. Ac-7904

    16. As-72447

    17. Db-004037

    18. J-520801

    19. Ethyl 3-(4-(methylamino)-3-nitro-n-(pyridin-2yl)benzamido)propanoate

    20. N-[4-(methylamino)-3-nitrobenzoyl]-n-(2-pyridyl)-beta-alanine Ethyl Ester

    21. Ethyl 3-{1-[4-(methylamino)-3-nitrophenyl]-n-(pyridin-2-yl)formamido}propanoate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 372.4 g/mol
    Molecular Formula C18H20N4O5
    XLogP32.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count8
    Exact Mass372.14336975 g/mol
    Monoisotopic Mass372.14336975 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity524
    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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      Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and interme...
      Aptra Synthesis Private Limited, is a reliable and vertically integrated manufacturer of APIs and intermediates, boasting state-of-the-art manufacturing facilities that adhere to GMP standards. We take great pride in producing top-notch intermediates through our fully backward-integrated process. Aptra Synthesis Private Limited (ASPL) stands as one of the rapidly emerging manufacturers of Active Pharmaceutical Ingredients (APIs), Pellets (Semi-finished Formulations), and Intermediates.
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        Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...
        Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.
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          Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats wit...
          Amara Labs Pvt Ltd is a WHO-GMP certified manufacturing company wholly owned by a team of technocrats with working experience of more than 20 years in Multi-Nationals Companies like Mylan and Cipla. We offer Active Pharmaceutical Ingredients, custom synthesis for Domestic, Intermediates for regulated markets with a key focus on new molecules. The manufacturing facility for production is equipped with an ability of producing Active Pharmaceutical Ingredients(API’s) in cGMP standards, with additional facilities of Pilot Plant with a full suite for scaling up and validation of new molecules
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          Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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            Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally spe...
            Synaptics Labs Private Limited is a young Pharmaceutical Company with a fully integrated and globally specialized in the development, production and marketing of API’s "Active Pharmaceuticals Ingredients" and its advanced Intermediates, thanks to our focus on satisfying our customers' requirements and supporting the consolidation of a robust infrastructure. The Company promoted by a team of technocrats holding a master’s degree in pharmaceuticals and who have been involved in different Pharmaceutical companies since 24years.
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