| SpectraBase Spectrum ID |
JEvY3F2O7qC |
| Name |
Omeprazole-M |
| CAS Registry Number |
73590-85-9 |
| Classification |
Pharmaceutical drug derivative |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
329.119798036 u |
| Formula |
C17H19N3O2S |
| InChI |
InChI=1S/C17H19N3O2S/c1-10-8-18-15(11(2)16(10)22-4)9-23-17-19-13-6-5-12(21-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) |
| InChIKey |
XURCIPRUUASYLR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
329.418 g/mol |
| Nominal Mass |
329 u |
| Quality |
953 |
| Retention Index |
2654 |
| SMILES |
C=12C(N=C(N2)SCC=2C(=C(C(=CN2)C)OC)C)=CC(=CC1)OC |
| SPLASH |
splash10-000t-0292000000-e889cb549c8bca09b620 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Omeprazole metabolite
Omeprazole sulfide
5-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfanyl)-1H-benzimidazole |
| Technique |
GC/MS |
| Wiley ID |
DD2024_030013 |
