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

1 2D Structure

CAS 1210-35-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5,6-dihydrodibenzo[2,1-b:2',1'-f][7]annulen-11-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 Depositor-Supplied Synonyms

1. 1210-35-1

2. Dibenzosuberan-5-one

3. Dibenzsuberone

4. 5-dibenzosuberone

5. 2,3:6,7-dibenzosuberone

6. 5h-dibenzo[a,d]cyclohepten-5-one, 10,11-dihydro-

7. Unii-8etk71th0h

8. Nsc 49727

9. Dibenzo(b,f)cycloheptan-1-one

10. Ccris 2780

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

12. Dibenzo(a,d)cycloheptadien-5-one

13. Einecs 214-912-3

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

15. 10,11-dihydrodibenzo(a,d)cycloheptanone

16. Mls002667303

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

18. 10,11-dihydrodibenzo(a,d)cyclohepten-5-one

19. Dibenzo[a,d]cycloheptadien-5-one

20. Bmvwcpgvlsilmu-uhfffaoysa-n

21. 10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-one

22. 5h-dibenzo(a,d)cyclohepten-5-one, 10,11-dihydro-

23. Mfcd00003587

24. Ak166932

25. 10,11-dihydro-dibenzo[a,d]cyclohepten-5-one

26. Dsstox_cid_29359

27. Dsstox_rid_83475

28. Dsstox_gsid_49400

29. 10,11-dihydro-5h-dibenzo[a,b]cyclohepten-5-one

30. W-108463

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

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

33. Cas-1210-35-1

34. 10,11-dihydrodibenzo[a,d]cyclohepten-5-one

35. 5,6-dihydrodibenzo[a,d][7]annulen-11-one

36. Dibezosuberone

37. 10,d]cycloheptanone

38. Ddco

39. 2,7-dibenzosuberone

40. Dibenzosuberone, 98%

41. Amitriptyline Impurity A

42. 10,d]cyclohepten-5-one

43. Dibenzo[a,4]dien-5-one

44. 8etk71th0h

45. Schembl44496

46. Ac1l245i

47. Dib019

48. Chembl1905787

49. Dtxsid4049400

50. Ks-00000wqq

51. Molport-002-070-314

52. Bb_sc-7255

53. Hms3087f23

54. Nsc49727

55. Zinc1681580

56. Tox21_113809

57. Tox21_202972

58. Bbl011742

59. Cd-984

60. Nsc-49727

61. Sbb056782

62. Stl163381

63. Akos000119592

64. Ac-8770

65. An-7695

66. Api0002309

67. Gs-3306

68. Mcule-4128254039

69. Rp26426

70. Ncgc00253685-01

71. Ncgc00260518-01

72. Cj-27678

73. Ls-60829

74. P225

75. Pl001851

76. Sc-22556

77. Smr001557071

78. Bb0295689

79. Tl8000554

80. Cs-0008540

81. D1801

82. Ft-0609493

83. St50825569

84. C-27467

85. 10,11-dihydro-5h- Dibenzo[a,b]cyclohepten-5-one

86. 10,11-dihydro-5h-dibenzo[a,d]-cyclohepten-5-one

87. 5h-dibenzo[a,d]cyclohepten-5-one,10,11-dihydro-

88. S14-0632

89. Z1250132499

90. 10,11-dihydrodibenzo[a,b]cyclohepten-5-one;dibenzosuberone

91. 5,6-dihydrodibenzo[2,1-b:1',2'-e][7]annulen-11-one

92. Dibenzosuberone, European Pharmacopoeia (ep) Reference Standard

93. 10,11-dihydro-5h-dibenzo[a,d][7]annulen-5-one (dibenzosuberone)

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

95. Tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

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

97. Tricyclo[9.4.0.0(3),?]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one

98. 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 208.26 g/mol
Molecular Formula C15H12O
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass208.089 g/mol
Monoisotopic Mass208.089 g/mol
Topological Polar Surface Area17.1 A^2
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
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