CAS 27387-31-1

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4 End Use APIs
6 Related Intermediates

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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

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 Formula	C₁₃H₁₃NO
Molecular Weight	199.25 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	199.099714038 g/mol
Monoisotopic Mass	199.099714038 g/mol
Topological Polar Surface Area	22 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	276
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