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    disodium [4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate

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    2D Structure
    Also known as: 10040-45-6, Picosulfate sodium, Laxoberal, Laxoberon, Sodium picosulphate, Evacuol
    Molecular Formula
    C18H13NNa2O8S2
    Molecular Weight
    481.4  g/mol
    InChI Key
    GOZDTZWAMGHLDY-UHFFFAOYSA-L
    FDA UNII
    VW106606Y8
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] sulfate
    2.1.2 InChI
    InChI=1S/C18H15NO8S2.2Na/c20-28(21,22)26-15-8-4-13(5-9-15)18(17-3-1-2-12-19-17)14-6-10-16(11-7-14)27-29(23,24)25;;/h1-12,18H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2
    2.1.3 InChI Key
    GOZDTZWAMGHLDY-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=CC=NC(=C1)C(C2=CC=C(C=C2)OS(=O)(=O)[O-])C3=CC=C(C=C3)OS(=O)(=O)[O-].[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    VW106606Y8
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4,4'-(2-picolylidene)bisphenylsulfuric Acid

    2. 4,4'-(picoliliden)-bis-phenylsulphate

    3. Laxoberal

    4. Picolax

    5. Picoprep

    6. Picosulfate Sodium

    7. Picosulfol

    2.3.2 Depositor-Supplied Synonyms

    1. 10040-45-6

    2. Picosulfate Sodium

    3. Laxoberal

    4. Laxoberon

    5. Sodium Picosulphate

    6. Evacuol

    7. Picolax

    8. Neopax

    9. Guttalax-fher

    10. Pico-salax

    11. Da-1773

    12. 4,4'-(2-picolylidene)bis(phenylsulfuric Acid) Disodium Salt

    13. La 391

    14. Picosulfate Sodium Anhydrous

    15. Sodium Picosulfate Anhydrous

    16. Anhydrous Sodium Picosulfate

    17. Da 1773

    18. Sodium Picosulphate Anhydrous

    19. Picosulfol

    20. Guttalax

    21. Rapilax

    22. Chebi:32147

    23. 4,4'-(2-pyridylmethylene)diphenol Bis(hydrogen Sulfate) Disodium Salt

    24. Vw106606y8

    25. Laxidogol

    26. Evanol

    27. Disodium;[4-[pyridin-2-yl-(4-sulfonatooxyphenyl)methyl]phenyl] Sulfate

    28. Sodium Picosulfate 100 Microg/ml In Acetonitrile

    29. Picosulfate Sodium Hydrate

    30. Picoprep

    31. Natrii Picosulfas

    32. Sodium Picosulphate Monohydrate

    33. Picosulfato Sodico

    34. Disodium 4,4'-(2-pyridylmethylene)-di(phenyl Sulphate);disodium 4,4'-(2-pyridylmethylene)-di(phenyl Sulphate);sodium Picosulfate

    35. Natrii Picosulfas [inn-latin]

    36. Picosulfate De Sodium

    37. La-391

    38. Picosulfato Sodico [inn-spanish]

    39. Ncgc00182711-01

    40. Picosulfate De Sodium [inn-french]

    41. Sodium Picosulfate [inn:ban:jan]

    42. Einecs 233-120-9

    43. 2-picolylidenebis(p-phenyl Sodium Sulfate)

    44. Natriumpicosulfat

    45. Unii-vw106606y8

    46. Guttalax;laxoberon

    47. Disodium 4,4'-disulfoxydiphenyl-(2-pyridyl)methane

    48. Bisacodyl Impurity D

    49. 4-methyl-2-pentenoicacid

    50. 4,4'-(2-pyridylmethylene)diphenolbis(hydrogen Sulfate) (ester) Disodium Salt

    51. 4,4'-(2-pyridinylmethylene)bisphenol Bis(hydrogen Sulfate) (ester) Disodium Salt

    52. Dsstox_cid_28589

    53. Dsstox_rid_82860

    54. Dsstox_gsid_48663

    55. Schembl346436

    56. Picosulfate Sodium [mi]

    57. Chembl1697768

    58. Dtxsid7048663

    59. Sodium Picosulfate [inn]

    60. Picosulfate For System Suitability

    61. Hms3652k17

    62. Bcp11522

    63. Tox21_113026

    64. Mfcd00867640

    65. S4020

    66. 4,4'-(2-pyridinylmethylene)bisphenol 1,1'-bis(hydrogen Sulfate) Sodium Salt

    67. Phenol, 4,4'-(2-pyridylmethylene)bis-, Bis(hydrogen Sulfate), Disodium Salt

    68. Ccg-269559

    69. Ac-31735

    70. As-15785

    71. Cas-10040-45-6

    72. Ft-0673898

    73. S0936

    74. Sw219183-1

    75. C71029

    76. Q410265

    77. Sodium (pyridin-2-ylmethylene)bis(4,1-phenylene) Bis(sulfate)

    78. Sodium 4,4'-(pyridin-2-ylmethylene)bis(4,1-phenylene) Disulfate

    79. 4,4'-(2-pyridylmethylene)diphenol Bis(hydrogen Sulphate) Disodium Salt

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 481.4 g/mol
    Molecular Formula C18H13NNa2O8S2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count5
    Exact Mass480.98779728 g/mol
    Monoisotopic Mass480.98779728 g/mol
    Topological Polar Surface Area163 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity633
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Cathartics

    Agents that are used to stimulate evacuation of the bowels. (See all compounds classified as Cathartics.)

    4.2 ATC Code

    A - Alimentary tract and metabolism

    A06 - Drugs for constipation

    A06A - Drugs for constipation

    A06AB - Contact laxatives

    A06AB08 - Sodium picosulfate