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    Technical details about CAS 51781-14-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 51781-14-7

    Manufacturers/Suppliers

    PharmaCompass

    Boai NKY Pharmaceuticals Ltd. is one of the largest global PVP suppliers.

    Renejix: CDMO with expertise in small molecule oral dosage, delivery tech, and multi-modality manufacturing.

    2D Structure
    1. Also known as: 51781-14-7, 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1h-quinolin-2-one, 2wa9zp4g9y, 3,4-dihydro-5-(2-oxiranylmethoxy)-2(1h)-quinolinone, 5-(oxiran-2-ylmethoxy)-3,4-dihydroquinolin-2(1h)-one, 2(1h)-quinolinone, 3,4-dihydro-5-(2-oxiranylmethoxy)-
    Molecular Formula
    C12H13NO3
    Molecular Weight
    219.24  g/mol
    InChI Key
    VQTWQOBNPISQPG-UHFFFAOYSA-N
    FDA UNII
    2WA9ZP4G9Y
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-(oxiran-2-ylmethoxy)-3,4-dihydro-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C12H13NO3/c14-12-5-4-9-10(13-12)2-1-3-11(9)16-7-8-6-15-8/h1-3,8H,4-7H2,(H,13,14)
    2.1.3 InChI Key
    VQTWQOBNPISQPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1CC(=O)NC2=C1C(=CC=C2)OCC3CO3
    2.2 Other Identifiers
    2.2.1 UNII
    2WA9ZP4G9Y
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 51781-14-7

    2. 5-(oxiran-2-ylmethoxy)-3,4-dihydro-1h-quinolin-2-one

    3. 2wa9zp4g9y

    4. 3,4-dihydro-5-(2-oxiranylmethoxy)-2(1h)-quinolinone

    5. 5-(oxiran-2-ylmethoxy)-3,4-dihydroquinolin-2(1h)-one

    6. 2(1h)-quinolinone, 3,4-dihydro-5-(2-oxiranylmethoxy)-

    7. 5-(((2rs)-oxiran-2-yl)methoxy)-3,4-dihydroquinolin-2(1h)-one

    8. Starbld0049131

    9. Unii-2wa9zp4g9y

    10. Carteolol Hcl Ep Impurity C

    11. Schembl4902708

    12. Schembl8052757

    13. Dtxsid30512545

    14. Carteolol Hydrochloride Impurity C [ep]

    15. Ft-0667929

    16. 5-(2,3-epoxy-propoxy)-3,4-dihydro-carbostyril

    17. 5-(2,3-epoxypropoxy)-3,4-dihydro-2-quinolinone

    18. 1-(3,4-dihydrocarbostyril-5-yloxy)-2,3-epoxypropane

    19. 1-(3,4-dihydrocarbostyril-5-yloxy) -2,3-epoxypropane

    20. Carteolol Hydrochloride Impurity C [ep Impurity]

    21. 5-[(oxiran-2-yl)methoxy]-3,4-dihydroquinolin-2(1h)-one

    22. 1-(3,4-dihydro-2-hydroxy-quinolin-5-yloxy)-2,3-epoxypropane

    2.4 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 219.24 g/mol
    Molecular Formula C12H13NO3
    XLogP30.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass219.08954328 g/mol
    Monoisotopic Mass219.08954328 g/mol
    Topological Polar Surface Area50.9 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity281
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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