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

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    Oxaquin

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    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: Mcb-3837, 1221r21zrq, Mcb 3837, 790704-50-6, 3-quinolinecarboxylic acid, 7-(4-((4-((5s)-5-((acetylamino)methyl)-2-oxo-3-oxazolidinyl)-2-fluorophenoxy)methyl)-4-(phosphonooxy)-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, 7-(4-((4-((5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl)-2-fluoro-phenoxy)methyl)-4-phosphonooxy-1-piperidyl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid
    Molecular Formula
    C31H33F2N4O11P
    Molecular Weight
    706.6  g/mol
    InChI Key
    MNABRWLVTSGIMU-FQEVSTJZSA-N
    FDA UNII
    1221R21ZRQ
    Quinolonyl-oxazolidinone Antibiotic DNV3837 is a prodrug of DNV3681, a small molecule quinolonyl-oxazolidinone antibiotic with activity against Gram-positive bacteria, including Clostridioides difficile. Upon intravenous administration, DNV3837 crosses the gastrointestinal barrier to reach the C. difficile infection site. The active drug DNV3681 may affect four bacterial targets including DNA-gyrase, topoisomerase IV, protein synthesis and aminoacyl-t-RNA synthetases, which leads to bacterial cell death. DNV3681 does not have antibacterial activity against aerobic and anaerobic Gram-negative bacteria, sparing intestinal Bacteroides spp. that provide colonization resistance in the digestive tract.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    7-[4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C31H33F2N4O11P/c1-17(38)34-13-20-14-37(30(42)47-20)19-4-5-27(24(33)10-19)46-16-31(48-49(43,44)45)6-8-35(9-7-31)26-12-25-21(11-23(26)32)28(39)22(29(40)41)15-36(25)18-2-3-18/h4-5,10-12,15,18,20H,2-3,6-9,13-14,16H2,1H3,(H,34,38)(H,40,41)(H2,43,44,45)/t20-/m0/s1
    2.1.3 InChI Key
    MNABRWLVTSGIMU-FQEVSTJZSA-N
    2.1.4 Canonical SMILES
    CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)OP(=O)(O)O)F
    2.1.5 Isomeric SMILES
    CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)OCC3(CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F)OP(=O)(O)O)F
    2.2 Other Identifiers
    2.2.1 UNII
    1221R21ZRQ
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Mcb-3837

    2. 1221r21zrq

    3. Mcb 3837

    4. 790704-50-6

    5. 3-quinolinecarboxylic Acid, 7-(4-((4-((5s)-5-((acetylamino)methyl)-2-oxo-3-oxazolidinyl)-2-fluorophenoxy)methyl)-4-(phosphonooxy)-1-piperidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-

    6. 7-(4-((4-((5s)-5-(acetamidomethyl)-2-oxo-oxazolidin-3-yl)-2-fluoro-phenoxy)methyl)-4-phosphonooxy-1-piperidyl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic Acid

    7. 7-[4-[[4-[(5s)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-phosphonooxypiperidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic Acid

    8. Unii-1221r21zrq

    9. Schembl2109002

    10. Gtpl10997

    11. Dnv3837

    12. Mcb3837

    13. Dnv-3837

    14. Hy-100435

    15. Cs-0018921

    16. Q27251356

    17. 7-(4-{4-[(5s)-5-(acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxymethyl}-4-phosphonooxy-piperidin-1-yl) -1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    18. 7-(4-{4-[(5s)-5-(acetylamino-methyl)-2-oxo-oxazolidin-3-yl]-2-fluoro-phenoxymethyl}-4-phosphonooxy-piperidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

    2.4 Create Date
    2009-09-22
    3 Chemical and Physical Properties
    Molecular Weight 706.6 g/mol
    Molecular Formula C31H33F2N4O11P
    XLogP32
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count11
    Exact Mass706.18515120 g/mol
    Monoisotopic Mass706.18515120 g/mol
    Topological Polar Surface Area196 Ų
    Heavy Atom Count49
    Formal Charge0
    Complexity1390
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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