| SpectraBase Spectrum ID |
8JGT4Nom96e |
| Name |
Metamizole |
| CAS Registry Number |
50567-35-6 |
| Classification |
Pharmaceutical drug, analgesic |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
311.093977209 u |
| Formula |
C13H17N3O4S |
| InChI |
InChI=1S/C13H17N3O4S/c1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,18,19,20) |
| InChIKey |
LVWZTYCIRDMTEY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
311.356 g/mol |
| Nominal Mass |
311 u |
| Quality |
996 |
| Retention Index |
1983 |
| SMILES |
OS(CN(C=1C(N(N(C1C)C)C=1C=CC=CC1)=O)C)(=O)=O |
| SPLASH |
splash10-00di-5910000000-7c8122ee124671ac37c4 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Dipyrone
N-Methyl-N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)amino-methanesulphonic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001941 |
