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    CAS 494-97-3

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    2D Structure
    Also known as: 494-97-3, (s)-3-(pyrrolidin-2-yl)pyridine, L-nor-nicotine, Nornicotin, (s)-nornicotine, 1'-demethyl nicotine
    Molecular Formula
    C9H12N2
    Molecular Weight
    148.20  g/mol
    InChI Key
    MYKUKUCHPMASKF-VIFPVBQESA-N
    FDA UNII
    83H6L5QD8Z
    nornicotine is a natural product found in Nicotiana cavicola, Nicotiana benavidesii, and other organisms with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(2S)-pyrrolidin-2-yl]pyridine
    2.1.2 InChI
    InChI=1S/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2/t9-/m0/s1
    2.1.3 InChI Key
    MYKUKUCHPMASKF-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    C1CC(NC1)C2=CN=CC=C2
    2.1.5 Isomeric SMILES
    C1C[C@H](NC1)C2=CN=CC=C2
    2.2 Other Identifiers
    2.2.1 UNII
    83H6L5QD8Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 3-(2-pyrrolidinyl)pyridine

    2. Nornicotine

    3. Nornicotine Tartrate, (s)-(r-(r*,r*))-isomer

    4. Nornicotine, (r)-isomer

    5. Nornicotine, (s)-isomer

    2.3.2 Depositor-Supplied Synonyms

    1. 494-97-3

    2. (s)-3-(pyrrolidin-2-yl)pyridine

    3. L-nor-nicotine

    4. Nornicotin

    5. (s)-nornicotine

    6. 1'-demethyl Nicotine

    7. S-(-)-nornicotine

    8. Pyridine, 3-(2s)-2-pyrrolidinyl-

    9. Nicotine, 1'-demethyl-, (s)-

    10. (s)-1'-demethylnicotine

    11. Chembl6200

    12. 83h6l5qd8z

    13. Chebi:28313

    14. (-)-nornicotine

    15. Pyridine, 3-(2-pyrrolidinyl)-, (s)-

    16. (s)-3-pyrrolidin-2-yl-pyridine

    17. 1'-demethylnicotine

    18. 3-((2s)-pyrrolidin-2-yl)pyridine

    19. (s)-2-(3-pyridyl)pyrrolidine

    20. Brn 0081968

    21. Pyridine, 3-(2-pyrrolidinyl)-,(s)-

    22. Unii-83h6l5qd8z

    23. 3-(2-pyrrolidinyl)-(s)-pyridine

    24. Hsdb 8034

    25. 1''-demethyl Nicotine

    26. (-)-(s)-nornicotine

    27. (s)-(-)-nornicotine

    28. Nornicotine [mi]

    29. (s)-1''-demethylnicotine

    30. 5-23-06-00062 (beilstein Handbook Reference)

    31. Nornicotine, Dl-(rg)

    32. Schembl158146

    33. Dtxsid7075420

    34. Nicotine, 1'-demethyl-

    35. Us8609708, 90 Nornicotine

    36. Zinc391820

    37. 3-[(2s)-2-pyrrolidinyl]pyridine

    38. Bdbm50035415

    39. Cs3561

    40. Mfcd03703484

    41. Akos006277281

    42. Cs-w021170

    43. Hy-w040430

    44. 3-(2s)-2-pyrrolidinylpyridine

    45. Ds-15937

    46. Nicotine Impurity F [ep Impurity]

    47. A827730

    48. Nicotine Related Compound F [usp Impurity]

    49. Nicotine Resinate Impurity F [ep Impurity]

    50. Nicotine Ditartrate Dihydrate Impurity F [ep Impurity]

    51. 13450-58-3

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 148.20 g/mol
    Molecular Formula C9H12N2
    XLogP30.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass148.100048391 g/mol
    Monoisotopic Mass148.100048391 g/mol
    Topological Polar Surface Area24.9 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity125
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Insecticides

    Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics. (See all compounds classified as Insecticides.)

    4.2 Metabolism/Metabolites

    Nornicotine is a known human metabolite of nicotine.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560