CAS 51997-51-4

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8 End Use APIs
27 Related Intermediates

Chemistry

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Also known as: 51997-51-4, 4-(2,3-epoxypropoxy)carbazole, 4-glycidyloxycarbazole, 4-epoxypropanoxycarbazole, 4-oxiranylmethoxy-9h-carbazole, 4-(2-oxiranylmethoxy)-9h-carbazole

Molecular Formula

C₁₅H₁₃NO₂

Molecular Weight

239.27 g/mol

InChI Key

SVWKIGRDISDRLO-UHFFFAOYSA-N

FDA UNII

VX4N43V2E1

1 2D Structure

CAS 51997-51-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(oxiran-2-ylmethoxy)-9H-carbazole

2.1.2 InChI

InChI=1S/C15H13NO2/c1-2-5-12-11(4-1)15-13(16-12)6-3-7-14(15)18-9-10-8-17-10/h1-7,10,16H,8-9H2

2.1.3 InChI Key

SVWKIGRDISDRLO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1C(O1)COC2=CC=CC3=C2C4=CC=CC=C4N3

2.2 Other Identifiers

2.2.1 UNII

VX4N43V2E1

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 51997-51-4

2. 4-(2,3-epoxypropoxy)carbazole

3. 4-glycidyloxycarbazole

4. 4-epoxypropanoxycarbazole

5. 4-oxiranylmethoxy-9h-carbazole

6. 4-(2-oxiranylmethoxy)-9h-carbazole

7. 4-(2,3-epoxypropoxy)-carbazole

8. 9h-carbazole, 4-(oxiranylmethoxy)-

9. Carvedilol Related Compound D

10. Vx4n43v2e1

11. Mfcd03411884

12. 4-oxiranylmethoxy-carbazole

13. Unii-vx4n43v2e1

14. 4-(2-oxiranylmethoxy)-9h-carbazol

15. (r)-4-(oxiran-2-ylmethoxy)-9h-carbazole

16. 9h-carbazole, 4-(2-oxiranylmethoxy)-

17. Ec 610-764-2

18. Schembl619267

19. Chembl3580714

20. 4-(2,3-epoxy Propoxy)carbazole

21. 4-(2,3-epoxypropoxy) Carbazole

22. 4-(2,3-epoxypropoxy)carbazole?

23. 4-(oxiranylmethoxy)-9h-carbazole

24. Dtxsid401306928

25. Amy40799

26. Bcp32066

27. Ac8014

28. Mfcd04973598

29. Akos008901363

30. 4-(oxirane-2-ylmethoxy)-9h-carbazole

31. Ac-1994

32. Cs-w014145

33. Ks-1021

34. Sb37482

35. Sy038288

36. Sy284588

37. Db-057554

38. Db-057555

39. Ft-0616497

40. Ft-0616498

41. Ft-0642294

42. Ft-0642295

43. G0296

44. (+/-)-4-oxiranylmethoxy-9h-carbazole

45. Carvedilol Related Compound D [usp-rs]

46. 997e514

47. A828878

48. A845180

49. Carvedilol Related Compound D [usp Impurity]

50. J-513258

51. Q27292066

52. Carvedilol Related Impurity D;4-(2,3-epoxypropoxy)carbazole

53. 4-(2-oxiranylmethoxy)-9h-carbazole, Pharmaceutical Impurity Standard

54. Carvedilol Related Compound D, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₃NO₂
Molecular Weight	239.27 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	239.094628657 g/mol
Monoisotopic Mass	239.094628657 g/mol
Topological Polar Surface Area	37.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	309
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