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    Nemonoxacin

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 378746-64-6, Nemonoxacin [inn], Tg-873870, Taigexyn, P94l0pvo94, 7-[(3s,5s)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
    Molecular Formula
    C20H25N3O4
    Molecular Weight
    371.4  g/mol
    InChI Key
    AVPQPGFLVZTJOR-RYUDHWBXSA-N
    FDA UNII
    P94L0PVO94
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[(3S,5S)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C20H25N3O4/c1-11-7-12(21)9-22(8-11)16-6-5-14-17(19(16)27-2)23(13-3-4-13)10-15(18(14)24)20(25)26/h5-6,10-13H,3-4,7-9,21H2,1-2H3,(H,25,26)/t11-,12-/m0/s1
    2.1.3 InChI Key
    AVPQPGFLVZTJOR-RYUDHWBXSA-N
    2.1.4 Canonical SMILES
    CC1CC(CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N
    2.1.5 Isomeric SMILES
    C[C@H]1C[C@@H](CN(C1)C2=C(C3=C(C=C2)C(=O)C(=CN3C4CC4)C(=O)O)OC)N
    2.2 Other Identifiers
    2.2.1 UNII
    P94L0PVO94
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Tg 873870

    2. Tg-873870

    3. Tg873870

    2.3.2 Depositor-Supplied Synonyms

    1. 378746-64-6

    2. Nemonoxacin [inn]

    3. Tg-873870

    4. Taigexyn

    5. P94l0pvo94

    6. 7-[(3s,5s)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxoquinoline-3-carboxylic Acid

    7. Tg873870

    8. 7-((3s,5s)-3-amino-5-methylpiperidin-1-yl)-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    9. Unii-p94l0pvo94

    10. 7-[(3s,5s)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid

    11. Starbld0028467

    12. Tg 873870

    13. Nemonoxacin [who-dd]

    14. Schembl1006373

    15. Chembl1213456

    16. Gtpl10836

    17. Dtxsid10958907

    18. Tqp0855

    19. Chebi:136053

    20. Zinc40435195

    21. Db06600

    22. Hy-14956

    23. Cs-0003656

    24. Q15425793

    25. 3-quinolinecarboxylic Acid, 7-((3s,5s)-3-amino-5-methyl-1-piperidinyl)-1-cyclopropyl-1,4-dihydro-8-methoxy-4-oxo-

    26. 7-[(3s,5s)-3-amino-5-methylpiperidin-1-yl]-1-cyclopropyl-8-methoxy-4- Oxo-1,4-dihydroquinoline-3-carboxylic Acid

    2.4 Create Date
    2007-02-05
    3 Chemical and Physical Properties
    Molecular Weight 371.4 g/mol
    Molecular Formula C20H25N3O4
    XLogP30.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass371.18450629 g/mol
    Monoisotopic Mass371.18450629 g/mol
    Topological Polar Surface Area96.1 Ų
    Heavy Atom Count27
    Formal Charge0
    Complexity647
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Investigated for use/treatment in bacterial infection and pneumonia.

    5 Pharmacology and Biochemistry
    5.1 MeSH Pharmacological Classification

    Anti-Bacterial Agents

    Substances that inhibit the growth or reproduction of BACTERIA. (See all compounds classified as Anti-Bacterial Agents.)

    5.2 ATC Code

    J - Antiinfectives for systemic use

    J01 - Antibacterials for systemic use

    J01M - Quinolone antibacterials

    J01MB - Other quinolones

    J01MB08 - Nemonoxacin