| SpectraBase Spectrum ID |
40N3mpJmIC |
| Name |
Almotriptan |
| CAS Registry Number |
154323-57-6 |
| Classification |
Antimigraine |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
CN(C)CCc1c2c([nH]c1)ccc(CS(=O)(=O)N1CCCC1)c2 |
| SPLASH |
splash10-0a4i-9100000000-daeb5c4abcc313b6c3ec |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8503 |
