| SpectraBase Spectrum ID |
8HiwDPcgcLY |
| Name |
Almotriptan |
| CAS Registry Number |
154323-57-6 |
| Classification |
Migraine therapeutic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.166748229 u |
| Formula |
C17H25N3O2S |
| InChI |
InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3 |
| InChIKey |
WKEMJKQOLOHJLZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
335.466 g/mol |
| Nominal Mass |
335 u |
| Quality |
925 |
| Retention Index |
2676 |
| SMILES |
C=12C(NC=C2CCN(C)C)=CC=C(C1)CS(N1CCCC1)(=O)=O |
| SPLASH |
splash10-0a4i-9501000000-05ade40beca20c60b7b0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N,N-Dimethyl-2-[5-(pyrrolidin-1-yl-sulfonylmethyl)-1H-indol-3-yl]ethanamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_006326 |
