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    Diphencyprone

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: 886-38-4, Diphencyprone, 2,3-diphenylcycloprop-2-en-1-one, 2,3-diphenylcycloprop-2-enone, 2,3-diphenylcyclopropenone, 1,2-diphenylcyclopropen-3-one
    Molecular Formula
    C15H10O
    Molecular Weight
    206.24  g/mol
    InChI Key
    HCIBTBXNLVOFER-UHFFFAOYSA-N
    FDA UNII
    I7G14NW5EC
    Diphencyprone is a synthetic, potent allergic contact sensitizer with potential immunostimulatory activity. After sensitization process by repeated topical application of diphencyprone to a specific area, further application of this agent to the affected area may stimulate an immune response and may potentially be useful to clear the affected area from infection or cancer.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-diphenylcycloprop-2-en-1-one
    2.1.2 InChI
    InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
    2.1.3 InChI Key
    HCIBTBXNLVOFER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
    2.2 Other Identifiers
    2.2.1 UNII
    I7G14NW5EC
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2,3-diphenyl-2-cyclopropen-1-one

    2. Diphencyprone

    3. Diphenylcyclopropenone Monohydrate

    2.3.2 Depositor-Supplied Synonyms

    1. 886-38-4

    2. Diphencyprone

    3. 2,3-diphenylcycloprop-2-en-1-one

    4. 2,3-diphenylcycloprop-2-enone

    5. 2,3-diphenylcyclopropenone

    6. 1,2-diphenylcyclopropen-3-one

    7. 2-cyclopropen-1-one, 2,3-diphenyl-

    8. Cyclopropenone, Diphenyl-

    9. Dpcp

    10. 2,3-diphenyl-2-cyclopropen-1-one

    11. Cyclopropenone, 2,3-diphenyl-

    12. Chebi:53074

    13. Mfcd00001311

    14. I7g14nw5ec

    15. Diphenylcycloprop-2-en-1-one

    16. Nsc-57541

    17. Ncgc00166113-01

    18. Dsstox_cid_26545

    19. Dsstox_rid_81708

    20. Dsstox_gsid_46545

    21. Cas-886-38-4

    22. Smr000449319

    23. Einecs 212-948-4

    24. Nsc 57541

    25. Unii-i7g14nw5ec

    26. Cpd000449319

    27. Diphenylcyclopenone

    28. Maybridge1_002005

    29. Diphencyprone [mi]

    30. Cyclopropenone,3-diphenyl-

    31. Epitope Id:113236

    32. 2,3-diphenyl Cyclopropenone

    33. Diphenylcyclopropenone, 98%

    34. Mls000758252

    35. Mls001424007

    36. Diphencyprone [mart.]

    37. Schembl105663

    38. Diphencyprone [who-dd]

    39. Chembl1373467

    40. Dtxsid2046545

    41. Hms547d03

    42. Amy1261

    43. 2-cyclopropen-1-one,3-diphenyl-

    44. Hms2051i09

    45. Hms2231a10

    46. Hms3393i09

    47. Nsc57541

    48. Tox21_112322

    49. 2,3-diphenyl-2-cyclopropene-1-one

    50. 2,3-diphenyl-cycloprop-2-en-1-one

    51. Ccg-55613

    52. Geo-01240

    53. Stk289679

    54. Akos005257686

    55. Tox21_112322_1

    56. Cs-w015321

    57. Db12173

    58. Hy-w014605

    59. Nc00029

    60. Ps-4199

    61. Sb17263

    62. Ncgc00166113-02

    63. Ncgc00166113-04

    64. Sy061804

    65. Ft-0625256

    66. F17153

    67. A861627

    68. Ad-310/30361065

    69. Diphenylcyclopropenone, Purum, >=98.0% (hplc)

    70. Q5279743

    71. Sr-01000644630-1

    72. W-200519

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 206.24 g/mol
    Molecular Formula C15H10O
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count1
    Rotatable Bond Count2
    Exact Mass206.073164938 g/mol
    Monoisotopic Mass206.073164938 g/mol
    Topological Polar Surface Area17.1 Ų
    Heavy Atom Count16
    Formal Charge0
    Complexity284
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1