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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

CAS 143322-57-0
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 Weight 293.20 g/mol
Molecular Formula C14H17BrN2
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass292.05751 g/mol
Monoisotopic Mass292.05751 g/mol
Topological Polar Surface Area19 Ų
Heavy Atom Count17
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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