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

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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
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