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    Technical details about 4CH-010073, learn more about the structure, uses, toxicity, action, side effects and more

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    4CH-010073

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as: 4504-87-4, Dibenzo[b,e]oxepin-11(6h)-one, Doxepinone, 6h-benzo[c][1]benzoxepin-11-one, Dibenz(b,e)oxepin-11(6h)-one, Doxepin related compound a
    Molecular Formula
    C14H10O2
    Molecular Weight
    210.23  g/mol
    InChI Key
    YUSHFLBKQQILNV-UHFFFAOYSA-N
    FDA UNII
    0H0YJ25O3W
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6H-benzo[c][1]benzoxepin-11-one
    2.1.2 InChI
    InChI=1S/C14H10O2/c15-14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)14/h1-8H,9H2
    2.1.3 InChI Key
    YUSHFLBKQQILNV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1C2=CC=CC=C2C(=O)C3=CC=CC=C3O1
    2.2 Other Identifiers
    2.2.1 UNII
    0H0YJ25O3W
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 4504-87-4

    2. Dibenzo[b,e]oxepin-11(6h)-one

    3. Doxepinone

    4. 6h-benzo[c][1]benzoxepin-11-one

    5. Dibenz(b,e)oxepin-11(6h)-one

    6. Doxepin Related Compound A

    7. 6,11-dihydrodibenz[b,e]oxepin-11-one

    8. 6h-dibenzo[b,e]oxepin-11-one

    9. 0h0yj25o3w

    10. 11-dihydrodibenz[b,e]oxepin-11-one

    11. 6,11-dihydrodibenz(b,e)oxepin-11-one

    12. Dibenzo[b,e]oxepin-11(6h)-one (doxepinone)

    13. 9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-one

    14. 6,11-dihydrodibenzo[b,e]oxepin-11-one

    15. Unii-0h0yj25o3w

    16. Einecs 224-820-5

    17. Doxepin Impurity A

    18. Schembl86392

    19. Dtxsid70196368

    20. Zinc346948

    21. Dibenzo[b,e]oxepin-11-(6h)-one

    22. Bcp11911

    23. Ac-343

    24. Dibenzo[b,e]oxepin-11(6h)-one #

    25. Mfcd00963963

    26. Akos015900481

    27. Cs-w006672

    28. Ds-2088

    29. Db-051262

    30. Doxepin Related Compound A [usp-rs]

    31. Am20120709

    32. Ft-0602597

    33. 6h-benzo[c][1]benzoxepin-11-one;doxepinone

    34. 504d874

    35. A826706

    36. Doxepin Related Compound A [usp Impurity]

    37. Q-200953

    38. Doxepin Hydrochloride Impurity A [ep Impurity]

    39. Q27236772

    40. Usp Doxepin Related Compound A [usp Impurity]

    41. 9-oxatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-one

    42. Pyaop?(7-azabenzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate

    2.4 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 210.23 g/mol
    Molecular Formula C14H10O2
    XLogP32.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass210.068079557 g/mol
    Monoisotopic Mass210.068079557 g/mol
    Topological Polar Surface Area26.3 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity274
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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