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    Technical details about Bay Y3118, learn more about the structure, uses, toxicity, action, side effects and more

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    Bay Y3118

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 144194-96-7, Bay y3118, Bay-y3118, Bay-y-3118, Bayy3118, Ms2o1a809w
    Molecular Formula
    C20H22Cl2FN3O3
    Molecular Weight
    442.3  g/mol
    InChI Key
    IDCUHOXUSMHTOK-OEQYQXMYSA-N
    FDA UNII
    MS2O1A809W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H21ClFN3O3.ClH/c21-16-17-12(19(26)13(20(27)28)8-25(17)11-3-4-11)6-14(22)18(16)24-7-10-2-1-5-23-15(10)9-24;/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28);1H/t10-,15+;/m0./s1
    2.1.3 InChI Key
    IDCUHOXUSMHTOK-OEQYQXMYSA-N
    2.1.4 Canonical SMILES
    C1CC2CN(CC2NC1)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F.Cl
    2.1.5 Isomeric SMILES
    C1C[C@H]2CN(C[C@H]2NC1)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5CC5)F.Cl
    2.2 Other Identifiers
    2.2.1 UNII
    MS2O1A809W
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-cyclopropyl-7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Hydrochloride

    2. Bay Y 3118

    3. Bay Y3118

    4. Bay-y3118

    2.3.2 Depositor-Supplied Synonyms

    1. 144194-96-7

    2. Bay Y3118

    3. Bay-y3118

    4. Bay-y-3118

    5. Bayy3118

    6. Ms2o1a809w

    7. Bay-y 3118

    8. 7-[(4as,7as)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic Acid;hydrochloride

    9. Bay Y 3118

    10. 8-chloro-1-cyclopropyl-6-fluoro-7-((4as,7as)-hexahydro-1h-pyrrolo[3,4-b]pyridin-6(2h)-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid Hydrochloride

    11. Unii-ms2o1a809w

    12. Ccris 8689

    13. Schembl1857905

    14. Bayy-3118

    15. Bay Y-3118

    16. 1-cyclopropyl-7-(2,8-diazabicyclo(4.3.0)non-8-yl)-6-fluoro-8-chloro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid Hydrochloride

    17. 3-quinolinecarboxylic Acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-(octahydro-6h-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, Monohydrochloride, (4as-cis)-

    18. Q27284209

    19. 3-quinolinecarboxylic Acid, 8-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-7-((4as,7as)-octahydro-6h-pyrrolo(3,4-b)pyridin-6-yl)-4-oxo-, Hydrochloride (1:1)

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 442.3 g/mol
    Molecular Formula C20H22Cl2FN3O3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count3
    Exact Mass441.1022251 g/mol
    Monoisotopic Mass441.1022251 g/mol
    Topological Polar Surface Area72.9 Ų
    Heavy Atom Count29
    Formal Charge0
    Complexity715
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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