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    Technical details about HOMFUTHISIHOLS-POYBYMJQSA-N, learn more about the structure, uses, toxicity, action, side effects and more

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    HOMFUTHISIHOLS-POYBYMJQSA-N

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    PharmaCompass

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    2D Structure
    1. Also known as: 1335210-24-6, (3s,11ar)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic acid, (3r,6s)-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid, Schembl12319716, Mfcd29059071, Zinc199892441
    Molecular Formula
    C13H14N2O6
    Molecular Weight
    294.26  g/mol
    InChI Key
    HOMFUTHISIHOLS-POYBYMJQSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,6S)-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic acid
    2.1.2 InChI
    InChI=1S/C13H14N2O6/c1-6-5-21-8-4-14-3-7(13(18)19)10(16)11(20-2)9(14)12(17)15(6)8/h3,6,8H,4-5H2,1-2H3,(H,18,19)/t6-,8+/m0/s1
    2.1.3 InChI Key
    HOMFUTHISIHOLS-POYBYMJQSA-N
    2.1.4 Canonical SMILES
    CC1COC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)OC
    2.1.5 Isomeric SMILES
    C[C@H]1CO[C@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1335210-24-6

    2. (3s,11ar)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-d]pyrido[1,2-a]pyrazine-8-carboxylic Acid

    3. (3r,6s)-10-methoxy-6-methyl-8,11-dioxo-4-oxa-1,7-diazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxylic Acid

    4. Schembl12319716

    5. Mfcd29059071

    6. Zinc199892441

    7. (3s,11ar)-3-methyl-6-(methyloxy)-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic Acid

    8. Ac-30859

    9. Ds-12373

    10. Cs-0158161

    11. F11512

    12. (3 S,11ar)-3-methyl-6-(methyloxy)-5,7-dioxo-2,3,5,7,11,11a-hexahydro[1,3]oxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylic Acid

    13. (3s,11ar)-6-methoxy-3-methyl-5,7-dioxo-2,3,5,7,11,11a-hexahydrooxazolo[3,2-a]pyrido[1,2-d]pyrazine-8-carboxylicacid

    2.3 Create Date
    2012-04-02
    3 Chemical and Physical Properties
    Molecular Weight 294.26 g/mol
    Molecular Formula C13H14N2O6
    XLogP30.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass294.08518617 g/mol
    Monoisotopic Mass294.08518617 g/mol
    Topological Polar Surface Area96.4 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity608
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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