CAS 143322-57-0

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 143322-57-0, (r)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1h-indole, 5-bromo-3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-1h-indole, (r)-5-bromo-3-(1-methyl-pyrrolidin-2-ylmethyl)-1h-indole, Intermediate of eletriptan, Xr1ns522cp

Molecular Formula

C₁₄H₁₇BrN₂

Molecular Weight

293.20 g/mol

InChI Key

JCXOJXALBTZEFE-GFCCVEGCSA-N

FDA UNII

XR1NS522CP

1 2D Structure

CAS 143322-57-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole

2.1.2 InChI

InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1

2.1.3 InChI Key

JCXOJXALBTZEFE-GFCCVEGCSA-N

2.1.4 Canonical SMILES

CN1CCCC1CC2=CNC3=C2C=C(C=C3)Br

2.1.5 Isomeric SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)Br

2.2 Other Identifiers

2.2.1 UNII

XR1NS522CP

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 143322-57-0

2. (r)-5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1h-indole

3. 5-bromo-3-[[(2r)-1-methylpyrrolidin-2-yl]methyl]-1h-indole

4. (r)-5-bromo-3-(1-methyl-pyrrolidin-2-ylmethyl)-1h-indole

5. Intermediate Of Eletriptan

6. Xr1ns522cp

7. (r)-5-bromo-3-(n-methylpyrrolidin-2-ylmethyl)-1h-indole

8. (r)-5-bromo-3-(n-methylpyrrolidine-2-ylmethyl)-1h-indole

9. 5-bromo-3-[1-methylpyrrolidin-2(r)-ylmethyl]-1h-indole

10. 1h-indole, 5-bromo-3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-

11. 5-bromo-3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-1h-indole

12. 5-bromo-3-(1-methylpyrrolidin-2(r)-ylmethyl)-1h-indole

13. (r)-5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1h-indole

14. 5-bromo-3-{[(2r)-1-methylpyrrolidin-2-yl]methyl}-1h-indole

15. Mfcd00912970

16. 1h-indole, 5-bromo-3-(((2r)-1-methyl-2-pyrrolidinyl)methyl)-

17. R-5-bromo-3-(n-methylpyrrolidin-2-ylmethyl)-1h-indole

18. (r)-5-bromo-3-(1-methyl-2-pyrrolidinyl Methyl)-1h-indole

19. Unii-xr1ns522cp

20. Ec 422-390-5

21. Schembl697582

22. Dtxsid80458106

23. Act04784

24. Bcp17560

25. Cs-b0001

26. Zinc3779249

27. Akos015834491

28. Akos015895955

29. Am84391

30. Ds-15028

31. Eletriptan Bromo Analog [usp Impurity]

32. Eletriptan Related Compound B [usp-rs]

33. V10027

34. 322b570

35. Eletriptan Related Compound B [usp Impurity]

36. J-502238

37. 5-bromo-3-(1-methyl Pyrrolidin-2-yl Methyl)

38. 5-bromo-3-(1-methypyrrolidin-2(r)-ylmethyl)-1h-indole

39. 6-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1h-indole

40. (r)-5-bromo-3-(1-methyl-2-pyrrolidinylmethyl)-1h-indole

41. (r)-5-bromo-3-(n-methylpyrrolidin-2-yl-methyl)-1h-indole

42. (r)-5-bromo-3-(n-methylpyrrolidin-2ylmethyl)-1h-indole

43. 3-(n-methyl-2(r)-pyrrolidinylmethyl)-5-bromo-1h-indole

44. 5-bromo-3-(n-methyl-2(r)-pyrrolidinylmethyl)-1h-indole

45. (r)-5-bromo-3-[(n-methylpyrrolidin-2-yl)methyl] 1 H-indole

46. (r)-5-bromo-3-[(n-methylpyrrolidin-2-yl)methyl]-1h-indole

47. 5-bromo-3-((r)-1-methyl-pyrrolidin-2-ylmethyl)-1h-indole

48. 5-bromo-3-(1-methyl Pyrrolidin-2(r)-yl Methyl)-1h-indole

49. 1h-indole,5-bromo-3-[[(2s)-1-methyl-2-pyrrolidinyl]methyl]-

50. 5-bromo-3-((1-methylpyrrolidin-2-yl)methyl)-1h-indole, (r)-

51. (r)-5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1h-indole 100 Microg/ml In Acetonitrile

52. 5-bromo-3-(1-methylpyrrolidin-2(r)-ylmethyl)-1h-indole;(r)-5-bromo-3-[(1-methyl-2-pyrrolidinyl)methyl]-1h-indole

2.4 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₇BrN₂
Molecular Weight	293.20 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	292.05751 g/mol
Monoisotopic Mass	292.05751 g/mol
Topological Polar Surface Area	19 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	271
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1