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

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    Aconiazide

    APIs // Active Pharmaceutical Ingredients

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    Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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    2D Structure
    1. Also known as: Aconiazide, Ncgc00160674-01, {2-[(e)-(isonicotinoylhydrazono)methyl]phenoxy}acetic acid, Aconiazide [inn], 8okq9ns8mo, 13410-86-1
    Molecular Formula
    C15H13N3O4
    Molecular Weight
    299.28  g/mol
    InChI Key
    MDFXJBQEWLCGHP-RQZCQDPDSA-N
    FDA UNII
    8OKQ9NS8MO
    Aconiazide is a hydrazone derivative of isoniazid, used in the treatment and prophylaxis of tuberculosis.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
    2.1.2 InChI
    InChI=1S/C15H13N3O4/c19-14(20)10-22-13-4-2-1-3-12(13)9-17-18-15(21)11-5-7-16-8-6-11/h1-9H,10H2,(H,18,21)(H,19,20)/b17-9+
    2.1.3 InChI Key
    MDFXJBQEWLCGHP-RQZCQDPDSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C(=C1)C=NNC(=O)C2=CC=NC=C2)OCC(=O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=NC=C2)OCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    8OKQ9NS8MO
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-formylphenoxyacetic Acid Isonicotinylhydrazone

    2. Aconiazide

    2.3.2 Depositor-Supplied Synonyms

    1. Aconiazide

    2. Ncgc00160674-01

    3. {2-[(e)-(isonicotinoylhydrazono)methyl]phenoxy}acetic Acid

    4. Aconiazide [inn]

    5. 8okq9ns8mo

    6. 13410-86-1

    7. Aconiazide [mart.]

    8. Dsstox_cid_26292

    9. Dsstox_rid_81518

    10. Dsstox_gsid_46292

    11. Schembl635283

    12. Chembl1590674

    13. Dtxsid8046292

    14. Tox21_111977

    15. Stk181710

    16. Akos001031966

    17. Cas-13410-86-1

    18. Sr-01000872617

    19. Sr-01000872617-2

    20. Isonicotinic Acid (2-(carboxymethoxy)benzylidene)hydrazide

    21. 2-(2-{[2-(4-pyridylcarbonyl)hydrazinylidene]methyl}phenoxy)acetic Acid

    22. (2-{(e)-[2-(pyridin-4-ylcarbonyl)hydrazinylidene]methyl}phenoxy)acetic Acid

    2.4 Create Date
    2006-04-28
    3 Chemical and Physical Properties
    Molecular Weight 299.28 g/mol
    Molecular Formula C15H13N3O4
    XLogP31.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass299.09060590 g/mol
    Monoisotopic Mass299.09060590 g/mol
    Topological Polar Surface Area101 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity408
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Antitubercular Agents

    Drugs used in the treatment of tuberculosis. They are divided into two main classes: "first-line" agents, those with the greatest efficacy and acceptable degrees of toxicity used successfully in the great majority of cases; and "second-line" drugs used in drug-resistant cases or those in which some other patient-related condition has compromised the effectiveness of primary therapy. (See all compounds classified as Antitubercular Agents.)

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