CAS 29331-92-8

Chemistry, 2 End Use API, 3 Related Intermediates

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Also known as: 29331-92-8, 10-hydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide, 10-hydroxycarbazepine, 10,11-dihydro-10-hydroxycarbamazepine, 10-hydroxycarbamazepine, 10-oh-carbazepine

Molecular Formula

C₁₅H₁₄N₂O₂

Molecular Weight

254.28 g/mol

InChI Key

BMPDWHIDQYTSHX-UHFFFAOYSA-N

FDA UNII

XFX1A5KJ3V

1 2D Structure

CAS 29331-92-8

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

2.1.2 InChI

InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)

2.1.3 InChI Key

BMPDWHIDQYTSHX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)N)O

2.2 Other Identifiers

2.2.1 UNII

XFX1A5KJ3V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10,11-dihydro-10-hydroxy-5h-dibenz(b,f)azepine-5-carboxamide

2. 10,11-mhd

2.3.2 Depositor-Supplied Synonyms

1. 29331-92-8

2. 10-hydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide

3. 10-hydroxycarbazepine

4. 10,11-dihydro-10-hydroxycarbamazepine

5. 10-hydroxycarbamazepine

6. 10-oh-carbazepine

7. Gp 47779

8. 10-hydroxy-10,11-dihydrocarbamazepine

9. 10,11-dihydro-10-hydroxycarbazepine

10. Gp-47779

11. 10,11-dihydro-10-hydroxy Carbamazepine

12. Licarbazepine [inn]

13. 10-hydroxy-carbamazepine

14. 5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

15. 10,11-dihydro-10-hydroxy-5h-dibenz(b,f)azepine-5-carboxamide

16. 5h-dibenz[b,f]azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-

17. Xfx1a5kj3v

18. Chembl1067

19. Chebi:701

20. S-licarbazepine

21. 10,11-dihydro-10-hydroxy-5h-dibenz[b,f]azepine-5-carboxamide

22. 5h-dibenz(b,f)azepine-5-carboxamide, 10,11-dihydro-10-hydroxy-

23. Unii-xfx1a5kj3v

24. Bia 2-005

25. 10-hydroxy-10,11-dihydro-5h-dibenz(b,f)azepine-5-carboxamide

26. Schembl420263

27. Licarbazepine [who-dd]

28. Schembl12356854

29. Dtxsid50865484

30. Hms3412j19

31. Hms3676j19

32. 5h-dibenz[b,f]azepine-5-carboxamide,10,11-dihydro-10-hydroxy-

33. (+-)-10,11-dihydro-10-hydroxy-5h-dibenz(b,f)azepine-5-carboxamide

34. Bdbm50330859

35. Mfcd00871817

36. Akos016011140

37. Ab92454

38. Am10036

39. Sb46355

40. Ac-37004

41. As-10186

42. Hy-108506

43. Cs-0029029

44. Ft-0666976

45. Ft-0666977

46. Ft-0672479

47. Ft-0672480

48. Ft-0672482

49. C07493

50. 10,11-dihydro-10-hydroxycarbamazepine Solution

51. 10,11-dihydro-10-hydroxycarbazepine-d4(major)

52. 331d928

53. A876488

54. J-017477

55. Q6542996

56. 10,11-dihydro-10-hydroxycarbamazepine, Analytical Standard

57. 10,11-dihydro-10-hydroxy Carbamazepine-with Exact Weight Protocol

58. 10,11-dihydro-10-hydroxy-5h-dibenz(z)[b,f]azepin-5-carboxamide

59. 10-hydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5 Carboxamide

60. 10-hydroxy-10,11-dihydrocarbamazepine 1.0 Mg/ml In Acetonitrile

61. 10,11-dihydro-10-hydroxycarbamazepine 100 Microg/ml In Acetonitrile

62. 10-hydroxy-10,11-dihydro-dibenzo[b,f]azepine-5-carboxylic Acid Amide

63. Racemic 10-hydroxy-10,11-dihydro-5h-dibenzo[b,f]azepine-5-carboxamide

64. ( Inverted Exclamation Marka)-10-hydroxy-10,11-dihydro-5h-dibenz[b,f]azepine-5-carboxamide

65. 10,11-dihydro-10-hydroxycarbamazepine Solution, 1.0 Mg/ml In Acetonitrile, Ampule Of 1 Ml, Certified Reference Material

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₄N₂O₂
Molecular Weight	254.28 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	254.105527694 g/mol
Monoisotopic Mass	254.105527694 g/mol
Topological Polar Surface Area	66.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	347
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

10-hydroxycarbazepine has known human metabolites that include (2S,3S,4S,5R)-6-[(11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560