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    Sodium Hydrogen Sulfate

    PharmaCompass
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    2D Structure
    Also known as: Sodium bisulfate, 7681-38-1, Sodium acid sulfate, Nitre cake, Sodium hydrogensulphate, Sodium hydrosulfate
    Molecular Formula
    HNaO4S
    Molecular Weight
    120.06  g/mol
    InChI Key
    WBHQBSYUUJJSRZ-UHFFFAOYSA-M
    FDA UNII
    BU8V88OWIQ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;hydrogen sulfate
    2.1.2 InChI
    InChI=1S/Na.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+1;/p-1
    2.1.3 InChI Key
    WBHQBSYUUJJSRZ-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    OS(=O)(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    BU8V88OWIQ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Disodium Sulfate

    2. Mangxiao

    3. Mirabilitum

    4. Natrii Sulphas

    5. Puxiao

    6. Sodium Bisulfate

    7. Sodium Bisulfate, Monohydrate

    8. Sodium Hydrosulfate

    9. Sodium Sulfate

    10. Sodium Sulfate, 35s-labeled Cpd

    11. Sodium Sulfate, Decahydrate

    12. Sulfuric Acid, Monosodium Salt

    13. Thenardite

    2.3.2 Depositor-Supplied Synonyms

    1. Sodium Bisulfate

    2. 7681-38-1

    3. Sodium Acid Sulfate

    4. Nitre Cake

    5. Sodium Hydrogensulphate

    6. Sodium Hydrosulfate

    7. Sodium Hydrogensulfate

    8. Sodium;hydrogen Sulfate

    9. Sodium Bisulphate

    10. Sulfuric Acid, Sodiumsalt (1:1)

    11. Bu8v88owiq

    12. Ncgc00091930-01

    13. Sodiumbisulfate

    14. Dsstox_cid_13983

    15. Dsstox_rid_79105

    16. Dsstox_gsid_33983

    17. Caswell No. 742

    18. Cas-7681-38-1

    19. Sodium Bisulfate, Solid(dot)

    20. Sodium Hydrogen Sulphate

    21. Einecs 231-665-7

    22. Unii-bu8v88owiq

    23. Mfcd00003531

    24. Nsc 71192

    25. Sodium Hydrogen Sulfate, Solid (dot)

    26. Epa Pesticide Chemical Code 073201

    27. Natriumbisulfat

    28. Ai3-08654

    29. Sodium Bi Sulphate

    30. Nahso4

    31. Sodium Hydrogen-sulfate

    32. Ec 231-665-7

    33. Sodium Bisulfate [ii]

    34. Sodium Bisulfate [mi]

    35. Sodium Bisulfate [fcc]

    36. Sodium Bisulfate [inci]

    37. Chembl1200488

    38. Dtxsid3033983

    39. Sodium Sulfate [who-dd]

    40. Sodium Hydrogen Sulfate, Anhydrous

    41. Sulfuric Acid, Sodium Salt (1:1)

    42. Tox21_111181

    43. Tox21_202537

    44. Akos015950613

    45. Sodium Hydrogen Sulfate [mart.]

    46. Ncgc00260086-01

    47. Ft-0693942

    48. Q411103

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 120.06 g/mol
    Molecular Formula HNaO4S
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass119.94932396 g/mol
    Monoisotopic Mass119.94932396 g/mol
    Topological Polar Surface Area85.8 Ų
    Heavy Atom Count6
    Formal Charge0
    Complexity93.2
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    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

    Cathartics

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