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    Metadoxine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    GLOBAL SALES INFORMATION

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    $ API Ref.Price (USD/KG) : 89Xls

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    2D Structure
    Also known as: 74536-44-0, Metasin, Metadoxil, Metadoxin, Ejq7m98h5j, (2s)-5-oxopyrrolidine-2-carboxylic acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol
    Molecular Formula
    C13H18N2O6
    Molecular Weight
    298.29  g/mol
    InChI Key
    RYKKQQUKJJGFMN-HVDRVSQOSA-N
    FDA UNII
    EJQ7M98H5J
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2S)-5-oxopyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C8H11NO3.C5H7NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-4-2-1-3(6-4)5(8)9/h2,10-12H,3-4H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)/t;3-/m.0/s1
    2.1.3 InChI Key
    RYKKQQUKJJGFMN-HVDRVSQOSA-N
    2.1.4 Canonical SMILES
    CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)NC1C(=O)O
    2.1.5 Isomeric SMILES
    CC1=NC=C(C(=C1O)CO)CO.C1CC(=O)N[C@@H]1C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    EJQ7M98H5J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Metadoxil

    2. Metadoxyl

    2.3.2 Depositor-Supplied Synonyms

    1. 74536-44-0

    2. Metasin

    3. Metadoxil

    4. Metadoxin

    5. Ejq7m98h5j

    6. (2s)-5-oxopyrrolidine-2-carboxylic Acid; 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol

    7. (5-hydroxy-6-methylpyridine-3,4-diyl)dimethanol (s)-5-oxopyrrolidine-2-carboxylate

    8. 4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;(2s)-5-oxopyrrolidine-2-carboxylic Acid

    9. Einecs 277-913-8

    10. Unii-ejq7m98h5j

    11. Alcoliv

    12. Metadoxil (tn)

    13. Metadoxine [mart.]

    14. 5-oxo-l-proline, Compound With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

    15. Metadoxine [who-dd]

    16. Pyridoxine Mixture With Pyrrolidonecarboxylic Acid

    17. Pyridoxine Pyroglutamate

    18. Pyridoxine-pyrrolidone Carboxylat

    19. Dtxsid80996053

    20. Hy-b1898

    21. Mfcd08704232

    22. S5060

    23. Akos015913487

    24. Ccg-267444

    25. Ks-5225

    26. 5-oxo-l-proline Compound With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

    27. L-proline, 5-oxo-, Compd. With 5-hydroxy-6-methylpyridine-3,4-dimethanol (1:1)

    28. Cs-0013958

    29. D08186

    30. D70320

    31. 536m440

    32. Metadoxil, Metasin, Pyridoxine-pyrrolidone Carboxylat

    33. L-proline, 5-oxo-, Compd. With5-hydroxy-6-methyl-3,4-pyridinedimethanol (1:1)other Ca Index Names:3,4-pyridinedimethanol, 5-hydroxy-6-methyl-, Compd. With5-oxo-l-proline (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 298.29 g/mol
    Molecular Formula C13H18N2O6
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass298.11648630 g/mol
    Monoisotopic Mass298.11648630 g/mol
    Topological Polar Surface Area140 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity297
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Alcohol Deterrents

    Substances interfering with the metabolism of ethyl alcohol, causing unpleasant side effects thought to discourage the drinking of alcoholic beverages. Alcohol deterrents are used in the treatment of alcoholism. (See all compounds classified as Alcohol Deterrents.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A05 - Bile and liver therapy

    A05B - Liver therapy, lipotropics

    A05BA - Liver therapy

    A05BA09 - Metadoxine