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    Balsalazide Disodium

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    2D Structure
    Also known as: Colazal, 213594-60-6, 82101-18-6, Balsalazide sodium, Colazide, Bx-661a
    Molecular Formula
    C17H13N3Na2O6
    Molecular Weight
    401.28  g/mol
    InChI Key
    CKMOQBVBEGCJGW-UHFFFAOYSA-L
    FDA UNII
    15ASW03C9S
    Balsalazide Disodium is the disodium salt form of balsalazide, an aminosalicylate and oral prodrug that is enzymatically cleaved in the colon to produce the anti-inflammatory agent mesalazine. Mesalazine acts locally on the mucosa of the colon where it diminishes inflammation by blocking the production of arachidonic acid metabolites, including leukotrienes, prostaglandins and hydroxyeicosatetraenoic acids, and other inflammatory agents. Balsalazide disodium is used to treat chronic inflammatory bowel disease.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    disodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoate
    2.1.2 InChI
    InChI=1S/C17H15N3O6.2Na/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23;;/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26);;/q;2*+1/p-2
    2.1.3 InChI Key
    CKMOQBVBEGCJGW-UHFFFAOYSA-L
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.[Na+].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    15ASW03C9S
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-(carboxyethylcarbamoyl-4-phenylazo)salicylic Acid

    2. Balsalazide

    3. Balsalazine

    4. Bx 661a

    5. Bx661a

    6. Colazal

    7. Colazide

    2.3.2 Depositor-Supplied Synonyms

    1. Colazal

    2. 213594-60-6

    3. 82101-18-6

    4. Balsalazide Sodium

    5. Colazide

    6. Bx-661a

    7. Balsalazidedisodium

    8. Balsalazide Disodium Anhydrous

    9. 15asw03c9s

    10. Balsalazide Disodium Salt Hydrate

    11. Giazo

    12. Disodium;3-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]benzoyl]amino]propanoate

    13. Balsalazine

    14. Balsalazide Disodium [usan]

    15. Bx 661a

    16. Nsc-760046

    17. Balzide

    18. Balsalazide Disodium Salt

    19. Unii-15asw03c9s

    20. Schembl30360

    21. Schembl3666408

    22. Chembl1200760

    23. Hms2097a22

    24. Hms3264m06

    25. Hms3714a22

    26. Balsalazide Sodium [who-dd]

    27. Akos015896484

    28. Akos025294907

    29. Ccg-213078

    30. Benzoic Acid, 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, Disodium Salt

    31. Disodium 5-((4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoate

    32. Disodium 3-[[4-[(2-carboxylatoethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate

    33. Ft-0622551

    34. Ft-0658348

    35. Balsalazide Disodium Salt Anhydrous [mi]

    36. A815288

    37. J-014008

    38. Q27251713

    39. 5-[4-(2-carboxyethylcarbamoyl)phenylazo]salicylic Acid Disodium Salt

    40. Sodium (e)-5-((4-((2-carboxylatoethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoate

    41. Sodium(e)-5-((4-((2-carboxylatoethyl)carbamoyl)phenyl)diazenyl)-2-hydroxybenzoate

    42. 5-[(1e)-[4-[[(2-carboxyethyl)amino]carbonyl]phenyl]azo]-2-hydroxybenzoic Acid Disodium Salt

    43. Benzoic Acid, 5-((1e)-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, Disodium Salt

    44. Benzoic Acid, 5-((1e)-2-(4-(((2-carboxyethyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, Sodium Salt (1:2)

    45. Disodium 3-[[4-[(3-oxidanidyl-3-oxidanylidene-propyl)carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate

    46. Disodium,(3z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 401.28 g/mol
    Molecular Formula C17H13N3Na2O6
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count6
    Exact Mass401.05997371 g/mol
    Monoisotopic Mass401.05997371 g/mol
    Topological Polar Surface Area154 Ų
    Heavy Atom Count28
    Formal Charge0
    Complexity539
    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

    Gastrointestinal Agents

    Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion. (See all compounds classified as Gastrointestinal Agents.)

    Anti-Inflammatory Agents, Non-Steroidal

    Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects. (See all compounds classified as Anti-Inflammatory Agents, Non-Steroidal.)

    4.2 FDA Pharmacological Classification
    4.2.1 Pharmacological Classes
    Aminosalicylic Acids [CS]; Aminosalicylate [EPC]