CAS 88919-22-6

Chemistry

Chemistry

Also known as: 88919-22-6, 3-(2-aminoethyl)-n-methyl-1h-indole-5-methanesulfonamide, 1-(3-(2-aminoethyl)-1h-indol-5-yl)-n-methylmethanesulfonamide, 1-[3-(2-aminoethyl)-1h-indol-5-yl]-n-methylmethanesulfonamide, 1h-indole-5-methanesulfonamide, 3-(2-aminoethyl)-n-methyl-, Sumatriptan ep impurity e

Molecular Formula

C₁₂H₁₇N₃O₂S

Molecular Weight

267.35 g/mol

InChI Key

MURZXKIEJFJMPP-UHFFFAOYSA-N

FDA UNII

WE0Q003U63

1 2D Structure

CAS 88919-22-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[3-(2-aminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide

2.1.2 InChI

InChI=1S/C12H17N3O2S/c1-14-18(16,17)8-9-2-3-12-11(6-9)10(4-5-13)7-15-12/h2-3,6-7,14-15H,4-5,8,13H2,1H3

2.1.3 InChI Key

MURZXKIEJFJMPP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN

2.2 Other Identifiers

2.2.1 UNII

WE0Q003U63

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 88919-22-6

2. 3-(2-aminoethyl)-n-methyl-1h-indole-5-methanesulfonamide

3. 1-(3-(2-aminoethyl)-1h-indol-5-yl)-n-methylmethanesulfonamide

4. 1-[3-(2-aminoethyl)-1h-indol-5-yl]-n-methylmethanesulfonamide

5. 1h-indole-5-methanesulfonamide, 3-(2-aminoethyl)-n-methyl-

6. Sumatriptan Ep Impurity E

7. We0q003u63

8. (3-(2-(aminoethyl))-1h-indol-5-yl)-n-methylmethanesulfonamide

9. (3-(2-aminoethyl)-1h-indol-5-yl)-n-methylmethanesulfonamide

10. 3-(2-aminoethyl)-n-methyl-1h-indole-5-methanesulfonamide (didesmethyl Sumatriptan)

11. [3-(2-aminoethyl)-1h-indol-5-yl]-n-methylmethanesulfonamide

12. Unii-we0q003u63

13. Sumatriptan Succinate Specified Impurity E [ep]

14. Schembl5918470

15. Dtxsid90237424

16. Act02651

17. Mfcd08063851

18. Stl018673

19. Zinc22009116

20. Akos015920454

21. Sumatriptan Impurity, (3-(2-(aminoethyl))-1h-indol-5-yl)-n-methylmethanesulfonamide- [usp]

22. As-18598

23. Sumatriptan Succinate Impurity, (3-(2-(aminoethyl))-1h-indol-5-yl)-n-methylmethanesulfonamide- [usp]

24. Ft-0659227

25. A843003

26. Q27292582

27. Sumatriptan Succinate Impurity E [ep Impurity]

28. 3-(2-aminoethyl)-1h-indole-5-yl-n-methyl Methane Sulphonamide

29. Sumatriptan Impurity, (3-(2-(aminoethyl))-1h-indol-5-yl)-n-methylmethanesulfonamide- [usp Impurity]

30. Sumatriptan Succinate Impurity, (3-(2-(aminoethyl))-1h-indol-5-yl)-n-methylmethanesulfonamide- [usp Impurity]

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇N₃O₂S
Molecular Weight	267.35 g/mol
XLogP3	0
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	267.10414797 g/mol
Monoisotopic Mass	267.10414797 g/mol
Topological Polar Surface Area	96.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	366
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

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