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Also known as: 32943-25-2, 3-chloroiminodibenzyl, 2-chloro-6,11-dihydro-5h-benzo[b][1]benzazepine, 3-chloro-10,11-dihydro-5h-dibenz[b,f]azepine, Clomipramine impurity f, 3-chloro-10,11-dihydro-5h-dibenz(b,f)azepine
Molecular Formula
C14H12ClN
Molecular Weight
229.70  g/mol
InChI Key
MHUXTOYYIDFXRF-UHFFFAOYSA-N
FDA UNII
0514QW7D2I

CAS 32943-25-2
1 2D Structure

CAS 32943-25-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-6,11-dihydro-5H-benzo[b][1]benzazepine
2.1.2 InChI
InChI=1S/C14H12ClN/c15-12-8-7-11-6-5-10-3-1-2-4-13(10)16-14(11)9-12/h1-4,7-9,16H,5-6H2
2.1.3 InChI Key
MHUXTOYYIDFXRF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=CC=CC=C2NC3=C1C=CC(=C3)Cl
2.2 Other Identifiers
2.2.1 UNII
0514QW7D2I
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 32943-25-2

2. 3-chloroiminodibenzyl

3. 2-chloro-6,11-dihydro-5h-benzo[b][1]benzazepine

4. 3-chloro-10,11-dihydro-5h-dibenz[b,f]azepine

5. Clomipramine Impurity F

6. 3-chloro-10,11-dihydro-5h-dibenz(b,f)azepine

7. 5h-dibenz[b,f]azepine, 3-chloro-10,11-dihydro-

8. Mls001178937

9. 0514qw7d2i

10. Mfcd01632171

11. Smr000476401

12. 5h-dibenz(b,f)azepine, 3-chloro-10,11-dihydro-

13. 3-chloro-10,11-dihydro-5h-dibenzo(b,f)azepine

14. Unii-0514qw7d2i

15. Desalkylclomipramine

16. Einecs 251-301-0

17. Oprea1_820352

18. 4-chloro-2,2'-iminodibenzyl

19. Cid_118364

20. Clomipramine Related Compound F

21. Schembl6964275

22. Clomipramine Hcl Ep Impurity F

23. Chembl1890509

24. Bdbm69622

25. Mhuxtoyyidfxrf-uhfffaoysa-

26. Dtxsid00186595

27. 3-chloro Iminodibenzyl Pound Chlorimipramine Pound(c)

28. Hms2800g23

29. Bcp34515

30. Zinc4104206

31. Stl569939

32. Akos001637447

33. Ac-8085

34. Cs-w010387

35. Ac-16234

36. As-15158

37. Sy036437

38. (1s,2s)-2-aminocyclopentanecarboxylic?acid

39. Db-048301

40. C1866

41. Eu-0075281

42. Ft-0602499

43. H10842

44. Clomipramine Related Compound F [usp-rs]

45. 943c252

46. Sr-01000465381

47. 3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepine #

48. 9-chloro-6,11-dihydro-5h-benzo[b][1]benzazepine

49. J-650390

50. Sr-01000465381-1

51. W-106802

52. 2-chloranyl-6,11-dihydro-5h-benzo[b][1]benzazepine

53. Q27247734

54. 3-chloro-10,11-dihydro-5h-dibenz(b,f)-azepine

55. Clomipramine Hydrochloride Impurity F [ep Impurity]

56. 3-chloroiminodibenzyl;3-chloro-10,11-dihydro-5h-dibenzo[b,f]azepine

57. 5-chloro-2-azatricyclo[9.4.0.03]pentadeca-1(11),3(8),4,6,12,14-hexaene

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 229.70 g/mol
Molecular Formula C14H12ClN
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass229.0658271 g/mol
Monoisotopic Mass229.0658271 g/mol
Topological Polar Surface Area12 Ų
Heavy Atom Count16
Formal Charge0
Complexity243
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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