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    Chemistry

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    Also known as: 23111-00-4, 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium chloride, 8xm2xt8vwi, Nicotinamide ribose chloride, Nicotinamide riboside (chloride), 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride
    Molecular Formula
    C11H15ClN2O5
    Molecular Weight
    290.70  g/mol
    InChI Key
    YABIFCKURFRPPO-IVOJBTPCSA-N
    FDA UNII
    8XM2XT8VWI
    Nicotinamide Riboside Chloride
    1 2D Structure

    Nicotinamide Riboside Chloride

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride
    2.1.2 InChI
    InChI=1S/C11H14N2O5.ClH/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11;/h1-4,7-9,11,14-16H,5H2,(H-,12,17);1H/t7-,8-,9-,11-;/m1./s1
    2.1.3 InChI Key
    YABIFCKURFRPPO-IVOJBTPCSA-N
    2.1.4 Canonical SMILES
    C1=CC(=C[N+](=C1)C2C(C(C(O2)CO)O)O)C(=O)N.[Cl-]
    2.1.5 Isomeric SMILES
    C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N.[Cl-]
    2.2 Other Identifiers
    2.2.1 UNII
    8XM2XT8VWI
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 23111-00-4

    2. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-ium Chloride

    3. 8xm2xt8vwi

    4. Nicotinamide Ribose Chloride

    5. Nicotinamide Riboside (chloride)

    6. 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-1-ium-3-carboxamide;chloride

    7. Ss-nicotinamide Riboside

    8. Unii-8xm2xt8vwi

    9. Srt647;niagen

    10. Schembl17315043

    11. Mfcd27952781

    12. Hy-123033a

    13. Ac-29830

    14. Ws-00064

    15. Cs-0098615

    16. F20757

    17. F20758

    18. A901913

    19. Eh-301 Component Nicotinamide Riboside Chloride

    20. Pyridinium, 3-carbamoyl-1-beta-d-ribofuranosyl-, Chloride

    21. Pyridinium, 3-(aminocarbonyl)-1-beta-d-ribofuranosyl-, Chloride

    22. Pyridinium, 3-carbamoyl-1-.beta.-d-ribofuranosyl-, Chloride

    23. Pyridinium, 3-(aminocarbonyl)-1-.beta.-d-ribofuranosyl-, Chloride

    24. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridin-1-iumchloride

    25. 3-carbamoyl-1-((2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyridinium Chloride

    2.4 Create Date
    2015-02-23
    3 Chemical and Physical Properties
    Molecular Weight 290.70 g/mol
    Molecular Formula C11H15ClN2O5
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass290.0669493 g/mol
    Monoisotopic Mass290.0669493 g/mol
    Topological Polar Surface Area117 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity314
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    API Reference Price

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    16-Apr-2021
    11-Aug-2023
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