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    Technical details about Surecn2062622, learn more about the structure, uses, toxicity, action, side effects and more

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    Surecn2062622

    APIs // Active Pharmaceutical Ingredients

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl ester, (4r,5r,6s)-, 104873-15-6, Schembl2062622, P-nitrobenzyl (1r,5r,6s)-6-[1(r)-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylate, (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2- oxocarbapenam-3-carboxylic acid 4-nitrobenzyl ester, (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-carbapenam-3-carboxylic acid 4-nitrobenzyl ester
    Molecular Formula
    C17H18N2O7
    Molecular Weight
    362.3  g/mol
    InChI Key
    GUGYCHHWTVUBLV-MSECNUKYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl)methyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C17H18N2O7/c1-8-13-12(9(2)20)16(22)18(13)14(15(8)21)17(23)26-7-10-3-5-11(6-4-10)19(24)25/h3-6,8-9,12-14,20H,7H2,1-2H3/t8-,9-,12-,13-,14?/m1/s1
    2.1.3 InChI Key
    GUGYCHHWTVUBLV-MSECNUKYSA-N
    2.1.4 Canonical SMILES
    CC1C2C(C(=O)N2C(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C(C)O
    2.1.5 Isomeric SMILES
    C[C@@H]1[C@@H]2[C@H](C(=O)N2C(C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])[C@@H](C)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1-azabicyclo[3.2.0]heptane-2-carboxylic Acid, 6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl Ester, (4r,5r,6s)-

    2. 104873-15-6

    3. Schembl2062622

    4. P-nitrobenzyl (1r,5r,6s)-6-[1(r)-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylate

    5. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2- Oxocarbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

    6. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-carbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

    7. (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylic Acid 4-nitrobenzyl Ester

    8. (4r,5beta)-3,7-dioxo-4alpha-methyl-6beta-[(r)-1-hydroxyethyl]-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-nitrobenzyl Ester

    9. 4-nitro-benzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

    10. 4-nitrobenzyl (1r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

    11. 4-nitrobenzyl (1r, 5r, 6s)-6[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

    12. 4-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

    13. 4-nitrobenzyl (4r, 5r, 6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3, 7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    14. 4-nitrobenzyl (4r,5r,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]-heptane-2-carboxylate

    15. 4-nitrobenzyl (4r,5r,6s)-6-[(1r)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    16. P-nitrobenzyl (1r,5r,6s)-6-[(1r)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 362.3 g/mol
    Molecular Formula C17H18N2O7
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass362.11140092 g/mol
    Monoisotopic Mass362.11140092 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count26
    Formal Charge0
    Complexity623
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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