Sumatriptan

• Formula: C₁₄H₂₁N₃O₂S
• Molecular weight: 295.400
• IUPAC Standard InChI: InChI=1S/C14H21N3O2S/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3/h4-5,8-9,15-16H,6-7,10H2,1-3H3 Copy

  
• IUPAC Standard InChIKey: KQKPFRSPSRPDEB-UHFFFAOYSA-N Copy
• CAS Registry Number: 103628-46-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Other names: 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide; 1H-Indole-5-methanesulfonamide, 3-[2-(dimethylamino)ethyl]-N-methyl-; Sumatriptan Base (or) 3-[2-(Dimethylamino) ethyl]-N-Methyl-1H-Indole-5-Methane Sulfonamide
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• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Other data available:
  • Mass spectrum (electron ionization)
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, custom temperature program

View large format table.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Rochholz, Ahrens, et al., 1995
Rochholz, G.; Ahrens, B.; König, F.; Schütz, H.W.; Schütz, H.; Seno, H., Screening and identification of sumatriptan and its main metabolite by means of thin-layer chromatography, ultraviolet spectroscopy and gas chromatography/mass spectrometry, Arzneim. Forsc., 1995, 45, 9, 941-946. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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