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    Technical details about CAS 120709-09-3, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 120709-09-3

    BUILDING BLOCK

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    2D Structure
    Also known as: 120709-09-3, (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 107937-01-9, 7-apra, 4ze15v22rd, (6r,7r)-7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
    Molecular Formula
    C10H12N2O3S
    Molecular Weight
    240.28  g/mol
    InChI Key
    ZYLDQHILNOZKIF-DHLUJLSBSA-N
    FDA UNII
    4ZE15V22RD
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (6R,7R)-7-amino-8-oxo-3-[(E)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H12N2O3S/c1-2-3-5-4-16-9-6(11)8(13)12(9)7(5)10(14)15/h2-3,6,9H,4,11H2,1H3,(H,14,15)/b3-2+/t6-,9-/m1/s1
    2.1.3 InChI Key
    ZYLDQHILNOZKIF-DHLUJLSBSA-N
    2.1.4 Canonical SMILES
    CC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O
    2.1.5 Isomeric SMILES
    C/C=C/C1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    4ZE15V22RD
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 120709-09-3

    2. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    3. 107937-01-9

    4. 7-apra

    5. 4ze15v22rd

    6. (6r,7r)-7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid

    7. (6r,7r)-7-amino-8-oxo-3-[(e)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    8. 7-amino-8-oxo-3-((1e)-prop-1-enyl)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, (6r,7r)-

    9. De(2-amino-2-(4-hydroxyphenyl)acetyl)cefprozil, (e)-

    10. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1e)-1-propen-1-yl-, (6r,7r)-

    11. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1e)-1-propenyl-, (6r,7r)-

    12. (6r,7r)-7-amino-8-oxo-3-[(1e)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    13. Cefprozil Impurity F [ep]

    14. Unii-4ze15v22rd

    15. 7 Apra

    16. Cefprozil Monohydrate Impurity F [ep]

    17. Cefprozil Ep Impurity D

    18. Cefprozil Ep Impurity F

    19. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbo

    20. Dtxsid20148332

    21. Act05294

    22. Amy27770

    23. Bcp10063

    24. Mfcd08458212

    25. Zinc21992405

    26. Akos015964988

    27. Akos025149355

    28. Ac-1879

    29. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1-propenyl)-, (6r-(3(e),6alpha,7beta))-

    30. As-15055

    31. Cefprozil Impurity F [ep Impurity]

    32. H11004

    33. 709a093

    34. A892112

    35. Cefprozil Monohydrate Impurity F [ep Impurity]

    36. Q27260710

    37. Cefprozil Related Compound D (e)-isomer [usp Impurity]

    38. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo [4. 2.0]oct-2--ene-2- Carboxylic Acid

    39. (6r,7r)-7-amino-8-oxo-3-(1-propenyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid; Cefprozil Intermediate; Cefprozil Main-ring

    40. (6r,7r)-7-amino-8-oxo-3-(prop-1-en-1-yl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid

    41. 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic Acid, 7-amino-8-oxo-3-(1-propenyl)-, (6r-(3(e),6.alpha.,7.beta.))-

    42. Cefprozil Usp Related Compound D; (6r,7r)-7-amino-8-oxo-3-[(1z)-prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 240.28 g/mol
    Molecular Formula C10H12N2O3S
    XLogP3-2.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass240.05686342 g/mol
    Monoisotopic Mass240.05686342 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity416
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1