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    Chemistry

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    Also known as: Propatylnitrate, 2921-92-8, Etrynit, Ettn, Win 9317, Propatyl nitrate [usan]
    Molecular Formula
    C6H11N3O9
    Molecular Weight
    269.17  g/mol
    InChI Key
    YZZCJYJBCUJISI-UHFFFAOYSA-N
    FDA UNII
    AJT2YN495R
    Propatylnitrate
    1 2D Structure

    Propatylnitrate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,2-bis(nitrooxymethyl)butyl nitrate
    2.1.2 InChI
    InChI=1S/C6H11N3O9/c1-2-6(3-16-7(10)11,4-17-8(12)13)5-18-9(14)15/h2-5H2,1H3
    2.1.3 InChI Key
    YZZCJYJBCUJISI-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
    2.2 Other Identifiers
    2.2.1 UNII
    AJT2YN495R
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1,1-tris(hydroxymethyl)propane Nitrate

    2.3.2 Depositor-Supplied Synonyms

    1. Propatylnitrate

    2. 2921-92-8

    3. Etrynit

    4. Ettn

    5. Win 9317

    6. Propatyl Nitrate [usan]

    7. 2,2-bis(nitrooxymethyl)butyl Nitrate

    8. Propatylnitrate [inn]

    9. Ett-n

    10. Propylidynetrimethyl Trinitrate

    11. Ajt2yn495r

    12. 2-ethyl-2-(hydroxymethyl)-1,3-propanediol Trinitrate

    13. Win-9317

    14. Propatylnitrate (inn)

    15. Propatyl Nitrate (usan)

    16. 1,3-propanediol, 2-ethyl-2-((nitrooxy)methyl)-, Dinitrate (ester)

    17. Gina; Ginapect;vasangor; Vassangor; Win 9317

    18. Propatilnitrato

    19. Propatylnitratum

    20. Unii-ajt2yn495r

    21. Propatylnitrat

    22. Propatylnitratum [inn-latin]

    23. Propatilnitrato [inn-spanish]

    24. Einecs 220-866-5

    25. Etrynit (tn)

    26. Propatyl Nitrate [mi]

    27. Schembl214199

    28. Chembl488280

    29. Propatylnitrate [mart.]

    30. Propatylnitrate [who-dd]

    31. Dtxsid40183467

    32. Chebi:135104

    33. Zinc8214664

    34. Db13255

    35. Ft-0605955

    36. D05627

    37. Q7250097

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 269.17 g/mol
    Molecular Formula C6H11N3O9
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count7
    Exact Mass269.04952894 g/mol
    Monoisotopic Mass269.04952894 g/mol
    Topological Polar Surface Area165 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity257
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    C - Cardiovascular system

    C01 - Cardiac therapy

    C01D - Vasodilators used in cardiac diseases

    C01DA - Organic nitrates

    C01DA07 - Propatylnitrate

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