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    Neoiscotin

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    2D Structure
    Also known as: Neoiscotin, Methaniazide sodium, 3804-89-5, Isoniazid methanesulfonate sodium, Neo-tizide sodium salt, Neotizide sodium salt
    Molecular Formula
    C7H8N3NaO4S
    Molecular Weight
    253.21  g/mol
    InChI Key
    XIKFVJMQXWJVQW-UHFFFAOYSA-M
    FDA UNII
    7SZ6S9M7IG
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate
    2.1.2 InChI
    InChI=1S/C7H9N3O4S.Na/c11-7(6-1-3-8-4-2-6)10-9-5-15(12,13)14;/h1-4,9H,5H2,(H,10,11)(H,12,13,14);/q;+1/p-1
    2.1.3 InChI Key
    XIKFVJMQXWJVQW-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    C1=CN=CC=C1C(=O)NNCS(=O)(=O)[O-].[Na+]
    2.2 Other Identifiers
    2.2.1 UNII
    7SZ6S9M7IG
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Isoniazid Methanesulfonate

    2. Methaniazide

    3. Methaniazide, Sodium Salt

    4. Neoiscotin

    2.3.2 Depositor-Supplied Synonyms

    1. Neoiscotin

    2. Methaniazide Sodium

    3. 3804-89-5

    4. Isoniazid Methanesulfonate Sodium

    5. Neo-tizide Sodium Salt

    6. Neotizide Sodium Salt

    7. Sodium Isoniazid Methanesulfonate

    8. Sodium Methanesulfonate Isoniazid

    9. 7sz6s9m7ig

    10. Isonicotinic Acid, 2-(sulfomethyl)hydrazide Monosodium Salt

    11. Sodium;[2-(pyridine-4-carbonyl)hydrazinyl]methanesulfonate

    12. Nsc-81103

    13. Ncgc00181167-01

    14. Einecs 223-275-0

    15. Nsc 81103

    16. Unii-7sz6s9m7ig

    17. 2'-(sulphomethyl)isonicotinohydrazide, Monosodium Salt

    18. Sodium Isonicotinyl Hydrazine Methansulfonate

    19. Isonicotinic Acid Hydrazide Methane Sulfonate (van)

    20. Isonicotinsaeur-hydrazid-methansulfonsaeuren Natrium [german]

    21. Isonicotinic Acid, 2-(sulfomethyl)hydrazide, Sodium Salt

    22. 4-pyridinecarboxylic Acid, 2-(sulfomethyl)hydrazide, Monosodium Salt

    23. Dsstox_cid_26885

    24. Dsstox_rid_81988

    25. Dsstox_gsid_46885

    26. Isonicotinsaeur-hydrazid-methansulfonsaeuren Natrium

    27. Chembl3187762

    28. Dtxsid7046885

    29. Tox21_112768

    30. Methaniazide Sodium [who-dd]

    31. Akos033878769

    32. Cas-3804-89-5

    33. Isoniazid Methanesulfonate Sodium [mi]

    34. Sodium Isonicotinylhydrazide Methanesulfonate

    35. Q27268806

    36. Sodium [(pyridin-4-yl)formohydrazido]methanesulfonate

    37. Z2373906036

    2.4 Create Date
    2008-02-05
    3 Chemical and Physical Properties
    Molecular Weight 253.21 g/mol
    Molecular Formula C7H8N3NaO4S
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count4
    Exact Mass253.01332120 g/mol
    Monoisotopic Mass253.01332120 g/mol
    Topological Polar Surface Area120 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity310
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2