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    Thurfyl Nicotinate

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Thurfyl nicotinate, 70-19-9, Trafuril, Nicotafuryl, Oxolan-2-ylmethyl pyridine-3-carboxylate, F3b9jhl36w
    Molecular Formula
    C11H13NO3
    Molecular Weight
    207.23  g/mol
    InChI Key
    RQAITHJHUFFEIV-UHFFFAOYSA-N
    FDA UNII
    F3B9JHL36W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    oxolan-2-ylmethyl pyridine-3-carboxylate
    2.1.2 InChI
    InChI=1S/C11H13NO3/c13-11(9-3-1-5-12-7-9)15-8-10-4-2-6-14-10/h1,3,5,7,10H,2,4,6,8H2
    2.1.3 InChI Key
    RQAITHJHUFFEIV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(OC1)COC(=O)C2=CN=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    F3B9JHL36W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Thurfyl Nicotinate

    2. Trafuril

    2.3.2 Depositor-Supplied Synonyms

    1. Thurfyl Nicotinate

    2. 70-19-9

    3. Trafuril

    4. Nicotafuryl

    5. Oxolan-2-ylmethyl Pyridine-3-carboxylate

    6. F3b9jhl36w

    7. Nicotinic Acid, 2-tetrahydrofurylmethyl Ester

    8. Thurfyl Nicotinate [ban]

    9. Nicotinic Acid Tetrahydrofurfuryl Ester

    10. Unii-f3b9jhl36w

    11. Einecs 200-727-5

    12. (tetrahydrofuran-2-yl)methyl Nicotinate

    13. Oprea1_416472

    14. Schembl1065912

    15. Thurfyl Nicotinate [mi]

    16. Chembl2105483

    17. Dtxsid10871541

    18. Thurfyl Nicotinate [inci]

    19. Chebi:134869

    20. Thurfyl Nicotinate [who-dd]

    21. (oxolan-2-yl)methyl Pyridine-3-carboxylate

    22. Db-055388

    23. Ft-0631302

    24. Q27277579

    25. Nicotinic Acid, (+/-)-2-tetrahydrofurylmethyl Ester

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 207.23 g/mol
    Molecular Formula C11H13NO3
    XLogP31.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass207.08954328 g/mol
    Monoisotopic Mass207.08954328 g/mol
    Topological Polar Surface Area48.4 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1