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Also known as: 27387-31-1, 1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one, 1,2,3,4-tetrahydro-9-methylcarbazol-4-one, 9-methyl-2,3,4,9-tetrahydro-1h-carbazol-4-one, 9-methyl-2,3-dihydro-1h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one
Molecular Formula
C13H13NO
Molecular Weight
199.25  g/mol
InChI Key
HHJUJCWZKJMCLC-UHFFFAOYSA-N
FDA UNII
267IW42T7Z

CAS 27387-31-1
1 2D Structure

CAS 27387-31-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-methyl-2,3-dihydro-1H-carbazol-4-one
2.1.2 InChI
InChI=1S/C13H13NO/c1-14-10-6-3-2-5-9(10)13-11(14)7-4-8-12(13)15/h2-3,5-6H,4,7-8H2,1H3
2.1.3 InChI Key
HHJUJCWZKJMCLC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN1C2=C(C(=O)CCC2)C3=CC=CC=C31
2.2 Other Identifiers
2.2.1 UNII
267IW42T7Z
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 27387-31-1

2. 1,2,3,9-tetrahydro-9-methyl-4h-carbazole-4-one

3. 1,2,3,4-tetrahydro-9-methylcarbazol-4-one

4. 9-methyl-2,3,4,9-tetrahydro-1h-carbazol-4-one

5. 9-methyl-2,3-dihydro-1h-carbazol-4-one

6. 1,2,3,9-tetrahydro-9-methyl-4h-carbazol-4-one

7. 4h-carbazol-4-one, 1,2,3,9-tetrahydro-9-methyl-

8. Ondansetron Related Compound C

9. 267iw42t7z

10. Mfcd00173748

11. 9-methyl-2,3-dihydro-1h-carbazol-4(9h)-one

12. Unii-267iw42t7z

13. 9-methyl-1,2,3,4-tetrahydrocarbazol-4-one

14. Ondansetron Related Compound C [usp]

15. Ondansetron Impurity C

16. Ondansetron Related Compound C Rs [usp]

17. Maybridge1_001957

18. 1,2,3,9-tetrahydro-4-oxo-carbazole

19. Amy280

20. Schembl1146660

21. Hms547a21

22. Zinc52623

23. Dtxsid30181811

24. Ondansetron Hydrochloride Dihydrate Specified Impurity C [ep]

25. Stk723153

26. Akos000520398

27. Ab04362

28. Ac-1031

29. Cs-w002468

30. Ds-0682

31. Fs-2935

32. Sy030905

33. Db-018723

34. Eu-0018574

35. Ft-0621676

36. Ft-0642865

37. Ft-0675029

38. T2942

39. 1,2,3,4-tetrahydro-9-methyl-4-oxocarbazole

40. 9-methyl-4-oxo-1,2,3,4-tetrahydrocarbazole

41. 87t311

42. Ondansetron Related Compound C [usp-rs]

43. A819041

44. A851766

45. Sr-01000524011

46. J-003550

47. J-503775

48. Sr-01000524011-1

49. 9-methyl-1,2,3,9-tetrahydro-4h-carbazol-4-one #

50. Ondansetron Related Compound C [usp Impurity]

51. Q27254062

52. Ondansetron Hydrochloride Dihydrate Impurity C [ep Impurity]

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 199.25 g/mol
Molecular Formula C13H13NO
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass199.099714038 g/mol
Monoisotopic Mass199.099714038 g/mol
Topological Polar Surface Area22 Ų
Heavy Atom Count15
Formal Charge0
Complexity276
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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