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Also known as: 1210-35-1, Dibenzocycloheptenone, Dibenzosuberan-5-one, 5-dibenzosuberone, 5h-dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-, 2,3:6,7-dibenzosuberone
Molecular Formula
C15H12O
Molecular Weight
208.25  g/mol
InChI Key
BMVWCPGVLSILMU-UHFFFAOYSA-N
FDA UNII
8ETK71TH0H

CAS 1210-35-1
1 2D Structure

CAS 1210-35-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one
2.1.2 InChI
InChI=1S/C15H12O/c16-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)15/h1-8H,9-10H2
2.1.3 InChI Key
BMVWCPGVLSILMU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=CC=CC=C2C(=O)C3=CC=CC=C31
2.2 Other Identifiers
2.2.1 UNII
8ETK71TH0H
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Dibenzocycloheptanone

2. Dibenzsuberone

2.3.2 Depositor-Supplied Synonyms

1. 1210-35-1

2. Dibenzocycloheptenone

3. Dibenzosuberan-5-one

4. 5-dibenzosuberone

5. 5h-dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-

6. 2,3:6,7-dibenzosuberone

7. 10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one

8. Dibenzo(a,d)cycloheptadien-5-one

9. Nsc 49727

10. Dibenzo(a,d)cyclohepta(1,4)dien-5-one

11. Amitriptyline Related Compound A

12. 10,11-dihydrodibenzo(a,d)cyclohepten-5-one

13. Amitriptyline Impurity A

14. 10,11-dihydro-dibenzo[a,d]cyclohepten-5-one

15. 10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-one

16. 8etk71th0h

17. 5h-dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-

18. Mls002667303

19. 10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-one

20. Dibenzo[a,d]cycloheptadien-5-one

21. Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-one

22. Nsc-49727

23. Dibenzsuberone

24. Dsstox_cid_29359

25. Dsstox_rid_83475

26. Dsstox_gsid_49400

27. Dibenzo(b,f)cycloheptan-1-one

28. 10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one (dibenzosuberone)

29. Dibenzo[a,d]cyclohepta[1,4]dien-5-one

30. Cas-1210-35-1

31. Ccris 2780

32. 10,11-dihydrodibenzo[a,d]cyclohepten-5-one

33. Dibenzocycloheptadienone

34. Einecs 214-912-3

35. Unii-8etk71th0h

36. 10,11-dihydro-5h-dibenzo(a,d)(7)annulen-5-one

37. 5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-one

38. 10,11-dihydrodibenzo(a,d)cycloheptanone

39. Mfcd00003587

40. 10,d]cycloheptanone

41. Ddco

42. 2,7-dibenzosuberone

43. Dibenzosuberone, 98%

44. 10,d]cyclohepten-5-one

45. Dibenzo[a,4]dien-5-one

46. Ec 214-912-3

47. Schembl44496

48. 10,11-dihydro-5h-dibenzo[a,b]cyclohepten-5-one

49. Chembl1905787

50. Dtxsid4049400

51. Hms3087f23

52. Nsc49727

53. Zinc1681580

54. Tox21_113809

55. Tox21_202972

56. Bbl011742

57. Stl163381

58. Akos000119592

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

60. Ac-8770

61. Ccg-295907

62. Gs-3306

63. Ncgc00253685-01

64. Ncgc00260518-01

65. Smr001557071

66. Db-041598

67. Dibenzosuberan-5-one, Dibenzocycloheptenone

68. Cs-0008540

69. D1801

70. Ft-0609493

71. F11137

72. Amitriptyline Related Compound A [usp-rs]

73. 10,11-dihydro-5h- Dibenzo[a,b]cyclohepten-5-one

74. 10,11-dihydro-5h-dibenzo[a,d]-cyclohepten-5-one

75. W-108463

76. Q27270267

77. 10,11-dihydro-5h-dibenzo(a,d)cycloheptan-5-one

78. Z1250132499

79. Amitriptyline Hydrochloride Impurity A [ep Impurity]

80. Nortriptyline Hydrochloride Impurity A [ep Impurity]

81. Dibenzosuberone, European Pharmacopoeia (ep) Reference Standard

82. Amitriptyline Related Compound A, United States Pharmacopeia (usp) Reference Standard

83. Tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 208.25 g/mol
Molecular Formula C15H12O
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass208.088815002 g/mol
Monoisotopic Mass208.088815002 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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