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    Technical details about Tox21_202745, learn more about the structure, uses, toxicity, action, side effects and more

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    Tox21_202745

    APIs // Active Pharmaceutical Ingredients

    PRICE INFORMATION

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: D-gluconic acid, 526-95-4, Dextronic acid, Maltonic acid, Glycogenic acid, (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic acid
    Molecular Formula
    C6H12O7
    Molecular Weight
    196.16  g/mol
    InChI Key
    RGHNJXZEOKUKBD-SQOUGZDYSA-N
    FDA UNII
    R4R8J0Q44B
    Gluconic acid is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
    2.1.2 InChI
    InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1
    2.1.3 InChI Key
    RGHNJXZEOKUKBD-SQOUGZDYSA-N
    2.1.4 Canonical SMILES
    C(C(C(C(C(C(=O)O)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
    2.2 Other Identifiers
    2.2.1 UNII
    R4R8J0Q44B
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Boron Gluconate

    2. D-gluconate

    3. D-gluconic Acid

    4. Dextronic Acid

    5. Gluconate

    6. Gluconic Acid, (113)indium-labeled

    7. Gluconic Acid, (14)c-labeled

    8. Gluconic Acid, (159)dysprosium-labeled Salt

    9. Gluconic Acid, (99)technecium (5+) Salt

    10. Gluconic Acid, 1-(14)c-labeled

    11. Gluconic Acid, 6-(14)c-labeled

    12. Gluconic Acid, Aluminum (3:1) Salt

    13. Gluconic Acid, Ammonium Salt

    14. Gluconic Acid, Calcium Salt

    15. Gluconic Acid, Cesium(+3) Salt

    16. Gluconic Acid, Cobalt (2:1) Salt

    17. Gluconic Acid, Copper Salt

    18. Gluconic Acid, Fe(+2) Salt, Dihydrate

    19. Gluconic Acid, Lanthanum(+3) Salt

    20. Gluconic Acid, Magnesium (2:1) Salt

    21. Gluconic Acid, Manganese (2:1) Salt

    22. Gluconic Acid, Monolithium Salt

    23. Gluconic Acid, Monopotassium Salt

    24. Gluconic Acid, Monosodium Salt

    25. Gluconic Acid, Potassium Salt

    26. Gluconic Acid, Sodium Salt

    27. Gluconic Acid, Strontium (2:1) Salt

    28. Gluconic Acid, Tin(+2) Salt

    29. Gluconic Acid, Zinc Salt

    30. Lithium Gluconate

    31. Magnerot

    32. Magnesium Gluconate

    33. Maltonic Acid

    34. Manganese Gluconate

    35. Pentahydroxycaproic Acid

    36. Sodium Gluconate

    37. Zinc Gluconate

    2.3.2 Depositor-Supplied Synonyms

    1. D-gluconic Acid

    2. 526-95-4

    3. Dextronic Acid

    4. Maltonic Acid

    5. Glycogenic Acid

    6. (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic Acid

    7. Glosanto

    8. Pentahydroxycaproic Acid

    9. Gluconate

    10. Gluconic Acid, D-

    11. D-gluco-hexonic Acid

    12. Gluconic Acid (van)

    13. 133-42-6

    14. D-gluconsaeure

    15. D-glukonsaeure

    16. Brn 1726055

    17. D-gluconic Acid Solution

    18. D-gluconic Acid, Homopolymer

    19. Glyconic Acid

    20. Hexonic Acid

    21. R4r8j0q44b

    22. Chebi:33198

    23. Dextronate

    24. Glycogenate

    25. Glyconate

    26. Maltonate

    27. 157663-13-3

    28. Gluconic Acid (contains Gluconolactone)

    29. Nsc 77381

    30. 124423-64-9

    31. Gco

    32. Ammonium Gluconate

    33. 2,3,4,5,6-pentahydroxyhexanoate

    34. Hsdb 487

    35. 19222-41-4

    36. Einecs 208-401-4

    37. Unii-r4r8j0q44b

    38. Sodium-gluconate

    39. Ketogluconic Acid

    40. Nsc-77381

    41. D-?gluconic Acid

    42. Pentahydroxycaproate

    43. Gluconal Ga-50

    44. Dsstox_cid_7169

    45. Schembl971

    46. Bmse000084

    47. Ec 208-401-4

    48. Gluconic Acid [mi]

    49. Dsstox_rid_78332

    50. Dsstox_gsid_27169

    51. Gluconic Acid [hsdb]

    52. Gluconic Acid [inci]

    53. 4-03-00-01255 (beilstein Handbook Reference)

    54. Gluconic Acid [vandf]

    55. Gluconic Acid [mart.]

    56. Chembl464345

    57. Ins No.574

    58. D-gluconic Acid 50% In Water

    59. Gluconic Acid [who-dd]

    60. Dtxsid8027169

    61. Dtxsid8042000

    62. Ins-574

    63. Gluconicacid(containsgluconolactone)

    64. Hy-y0569

    65. Zinc1531008

    66. 2,3,4,5,6-pentahydroxy-hexanoate

    67. Tox21_202745

    68. Mfcd00004240

    69. S3595

    70. 2,3,4,5,6-pentahydroxycaproic Acid

    71. Akos015895892

    72. D-gluconic Acid - 45-50% In Water

    73. Db13180

    74. 2,3,4,5,6-pentahydroxy-hexanoic Acid

    75. Ncgc00260293-01

    76. Cas-526-95-4

    77. E574

    78. Cs-0015343

    79. E-574

    80. G0036

    81. 2,3,4,5,6-pentahydroxycaproic Acid Solution

    82. C00257

    83. D70789

    84. D-gluconic Acid Solution, 49-53 Wt. % In H2o

    85. Q407569

    86. W-109086

    87. Wurcs=2.0/1,1,0/[a2122h]/1/

    88. D-gluconic Acid Solution, Saj First Grade, 50% In H2o

    89. 6e52b5fc-5676-4139-977a-4d643eddb159

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 196.16 g/mol
    Molecular Formula C6H12O7
    XLogP3-3.4
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass196.05830272 g/mol
    Monoisotopic Mass196.05830272 g/mol
    Topological Polar Surface Area138 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity170
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    For use as part of electrolyte supplementation in total parenteral nutrition.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Used as part of electrolyte salts to maintain cation-anion balance in solutions.

    5.2 Absorption, Distribution and Excretion

    (99)TCM-LABELED GLUCONATE WAS ACCUMULATED RELATIVELY EARLY IN THE KIDNEY, AND ESP IN THE URINARY TRACT.

    KOGA I ET AL; RADIOISOTOPES 25 (7): 381 (1976)

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