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    Sodium Glycocholate

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 1,001Xls

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    2D Structure
    Also known as: 863-57-0, Glycocholic acid sodium salt, Glycocholate sodium, Glycocholate sodium salt, Monosodium glycocholic acid, Glycocholic acid, sodium salt
    Molecular Formula
    C26H42NNaO6
    Molecular Weight
    487.6  g/mol
    InChI Key
    OABYVIYXWMZFFJ-ZUHYDKSRSA-M
    FDA UNII
    V06CXA1W3K
    The glycine conjugate of CHOLIC ACID. It acts as a detergent to solubilize fats for absorption and is itself absorbed.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate
    2.1.2 InChI
    InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
    2.1.3 InChI Key
    OABYVIYXWMZFFJ-ZUHYDKSRSA-M
    2.1.4 Canonical SMILES
    CC(CCC(=O)NCC(=O)[O-])C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.[Na+]
    2.1.5 Isomeric SMILES
    C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C.[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    V06CXA1W3K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Cholylglycine

    2. Glycine Cholate

    3. Glycocholate

    4. Glycocholate Sodium

    5. Glycocholic Acid

    6. Glycocholic Acid, Sodium Salt

    2.3.2 Depositor-Supplied Synonyms

    1. 863-57-0

    2. Glycocholic Acid Sodium Salt

    3. Glycocholate Sodium

    4. Glycocholate Sodium Salt

    5. Monosodium Glycocholic Acid

    6. Glycocholic Acid, Sodium Salt

    7. V06cxa1w3k

    8. Sodium Glycocholate Hydrate

    9. Glycocholic Acid (sodium)

    10. Nsc-35609

    11. Unii-v06cxa1w3k

    12. Sodium N-(3-alpha,7-alpha,12-alpha-trihydroxy-24-oxocholan-24-yl)glycinate

    13. Sodium Glycylcholate

    14. Einecs 212-730-9

    15. Nsc 35609

    16. Glycine, N-choloyl-, Monosodium Salt

    17. N-cholylglycine Sodium Salt

    18. Sodium Cholylglycinate

    19. Monosodium Glycocholate

    20. Glycocholicacidsodiumsalt

    21. Chebi:36273

    22. Hy-n1423a

    23. N-choloylglycine, Monosodium Salt

    24. Dtxsid001349031

    25. Mfcd00036741

    26. Akos025286001

    27. As-59333

    28. Cs-0016853

    29. G0207

    30. S-4700

    31. Q27116768

    32. Sodium N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)glycinate

    33. Glycine, N-((3.alpha.,5.beta.,7.alpha.,12.alpha.)-3,7,12-trihydroxy-24-oxocholan-24-yl)-, Sodium Salt (1:1)

    34. Glycine, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-, Monosodium Salt

    35. Sodium;2-[[(4r)-4-[(3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetate

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 487.6 g/mol
    Molecular Formula C26H42NNaO6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass487.29098234 g/mol
    Monoisotopic Mass487.29098234 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count34
    Formal Charge0
    Complexity766
    Isotope Atom Count0
    Defined Atom Stereocenter Count11
    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

    Cholagogues and Choleretics

    Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)

    Detergents

    Purifying or cleansing agents, usually salts of long-chain aliphatic bases or acids, that exert cleansing (oil-dissolving) and antimicrobial effects through a surface action that depends on possessing both hydrophilic and hydrophobic properties. (See all compounds classified as Detergents.)