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    74288-40-7

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 191Xls

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    2D Structure
    Also known as: 74288-40-7, Adc-13, P-nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate, P-nitrobenzyl 6-(1'-hydroxyethyl)-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate, V9j4car06a, P-nitrobenzyl (5r,6s)-6-((1r)-1-hydroxyethyl)-2-oxocarbapenam-3-carboxylate
    Molecular Formula
    C16H16N2O7
    Molecular Weight
    348.31  g/mol
    InChI Key
    YBIDYTOJOXKBLO-USLOAXSXSA-N
    FDA UNII
    V9J4CAR06A
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4-nitrophenyl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
    2.1.2 InChI
    InChI=1S/C16H16N2O7/c1-8(19)13-11-6-12(20)14(17(11)15(13)21)16(22)25-7-9-2-4-10(5-3-9)18(23)24/h2-5,8,11,13-14,19H,6-7H2,1H3/t8-,11-,13-,14?/m1/s1
    2.1.3 InChI Key
    YBIDYTOJOXKBLO-USLOAXSXSA-N
    2.1.4 Canonical SMILES
    CC(C1C2CC(=O)C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H]1[C@H]2CC(=O)C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O
    2.2 Other Identifiers
    2.2.1 UNII
    V9J4CAR06A
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 74288-40-7

    2. Adc-13

    3. P-nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate

    4. P-nitrobenzyl 6-(1'-hydroxyethyl)-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate

    5. V9j4car06a

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

    7. P-nitrobenzyl-6-(1-hydroxyethyl)-1-azabicyclo(3.2.0) Heptane-3,7-dione-2-carboxylate

    8. 1-azabicyclo(3.2.0)heptane-2-carboxylic Acid, 6-((1r)-1-hydroxyethyl)-3,7-dioxo-, (4-nitrophenyl)methyl Ester, (5r,6s)-

    9. (4-nitrophenyl)methyl (5r,6s)-6-[(1r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    10. 6-(1-hydroxy-ethyl)-3,7-dioxo-1-aza-bicyclo(3.2.0)heptane-2-carboxylic Acid 4-nitro-benzyl Ester

    11. 77448-91-0

    12. Unii-v9j4car06a

    13. Adc13

    14. P-nitrobenzyl 6-(1-hydroxyethyl)-1-azabicyclo[3.2.0]heptane-3,7-dione-2-carboxylate

    15. Adc 13

    16. Schembl3902557

    17. Dtxsid10225303

    18. Act02679

    19. Bcp12985

    20. Mfcd08458409

    21. Akos015950836

    22. Ds-2916

    23. (5r,6s)-4-nitrobenzyl6-((r)-1-hydroxyethyl)-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    24. Ac-15432

    25. Db-028982

    26. Ethene, 1-hloro-1,2,2-rifluoro-, Homopolymer

    27. 288n407

    28. Q-101437

    29. Q27291699

    30. 4-nitrobenzyl (5r, 6s)-6-[(1r)-1-hydroxyethyl]-2-oxo-1-carbapenam-3-carboxylate

    31. 4-nitrobenzyl (5r, 6s)-6-[(1r)-1-hydroxyethyl]-2oxo-1-carbapenam-3-carboxylate

    32. 4-nitrobenzyl (5r,6s)-2-oxo-6-((1r)-1-hydroxyethyl) -1-carbapenam-3-carboxylate

    33. 4-nitrobenzyl (5r,6s)-6-((1r)-1-hydroxyethyl) -2-oxo-1-carbapenam-3-carboxylate

    34. 4-nitrobenzyl (5r,6s)-6-[(1r)-1-hydroxyethyl]-2-oxo-1-carbapenam-3-carboxylate

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

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

    37. (5beta)-6beta-[(r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid 4-nitrobenzyl Ester

    38. (5r, 6s) P-nitrobenzyl 6-[(r)-1-hydroxyethyl]-1-azabicyclo[3.2.0]heptan-3,7-dione-2-carboxylate

    39. (5r,6s) P-nitrobenzyl 6-[(r)-1-hydroxyethyl]-1-azabicyclo[3.2.0]heptan-3,7-dione-2-carboxylate

    40. 1-azabicyclo[3.2.0]heptane-2-carboxylicacid, 6-[(1r)-1-hydroxyethyl]-3,7-dioxo-, (4-nitrophenyl)methyl Ester, (5r,6s)-

    41. 4-nitrobenzyl (5r,6s)-3,7-dioxo-6-{(1r)-1-hydroxyethyl}-1-azabicyclo[3.2.0]heptane-2-carboxylate

    42. 4-nitrobenzyl (5r,6s)-6-[(1r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    43. 4-nitrobenzyl (5r,6s)-6-[(1r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate, Antibiotic For Culture Media Use O Nly

    44. 4-nitrobenzyl (5r,6s)-6-[(r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate

    45. 6-[(1r)-1-hydroxyethyl]-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid (5r,6s)-(4-nitrophenyl)methyl Ester

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

    47. P-nitrobenzyl 6-(1 Inverted Exclamation Mark -hydroxyethyl)-azabicyclo(3.2.0)heptane-3,7-dione-2-carboxylate

    2.4 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 348.31 g/mol
    Molecular Formula C16H16N2O7
    XLogP30.8
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count5
    Exact Mass348.09575085 g/mol
    Monoisotopic Mass348.09575085 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity594
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1