CAS 32943-25-2

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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

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 Formula	C₁₄H₁₂ClN
Molecular Weight	229.70 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	229.0658271 g/mol
Monoisotopic Mass	229.0658271 g/mol
Topological Polar Surface Area	12 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1