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Sumatriptan

View entire compound with spectra: 6 MS (GC)

Sumatriptan
SpectraBase Compound ID 13xXDDQ8vnn
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
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C14H21N3O2S
Exact Mass 295.135448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DIiiDsV4Md
Name Sumatriptan
Alternate Name(s) Sumatran Sumax Imitrex Sumatriptanum 3-[2-(Dimethylamino)ethyl]-N-methylindole-5-methanesulfonamide Imitrex Oral 3-(2-(Dimethylamino)ethyl)-N-methyl-1H-indole-5-methanesulfonamide (3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl)-N-methylmethanesulfonamide 1-{3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}-N-methylmethanesulfonamide 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methylmethanesulfonamide 1H-Indole-5-methanesulfonamide, 3-(2-(dimethylamino)ethyl)-N-methyl- Imigrane Alsuma 1-[3-(2-dimethylaminoethyl)-1H-indol-5-yl]-N-methyl-methanesulfonamide Imigranreg Migraneitor Adracon Apigrane Illument Migralgin Sapphirex Zecuity Altaxa Frimig Imigen Nazdav Youshu Cinie Imigran mite 3-[2-(Dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulfonamide Imigran radis Imigran recovery 1-(3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)-N-methylmethanesulfonamide 1H-Indole-5-methanesulfonamide, 3-[2-(dimethylamino)ethyl]-N-methyl- 3-[2-(Dimethylamino)ethyl]-N-methy-1H-indole-5-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole-5-methanesulphonamide 1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methyl-methanesulfonamide 3-[2-(dimethylamino)ethyl]-N-methyl-1H-indole -5-methanesulphonamide
CAS Registry Number 103628-46-2
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21N3O2S
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
InChIKey KQKPFRSPSRPDEB-UHFFFAOYSA-N
Molecular Weight 295.401 g/mol
SMILES N(S(Cc1cc2c(c[nH]c2cc1)CCN(C)C)(=O)=O)C
SPLASH splash10-0a4i-9310000000-2b636bd60999c3a7171f
Source of Spectrum NP-18-6701-0
Wiley ID 1108374