| SpectraBase Spectrum ID |
IYg40wzmhXr |
| Name |
Piretanid 2ME |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
390.124942985 u |
| Formula |
C19H22N2O5S |
| InChI |
InChI=1S/C19H22N2O5S/c1-20(2)27(24,25)17-13-14(19(22)23)12-16(21-10-6-7-11-21)18(17)26-15-8-4-3-5-9-15/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3,(H,22,23) |
| InChIKey |
VDKJWSUDMLUJLG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
390.454 g/mol |
| Nominal Mass |
390 u |
| Quality |
940 |
| SMILES |
OC(C=1C=C(C(=C(N2CCCC2)C1)OC1=CC=CC=C1)S(N(C)C)(=O)=O)=O |
| SPLASH |
splash10-014m-3891000000-054bd0a51ed8697608a6 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-((dimethylamino)sulfonyl)-4-phenoxy-5-(pyrrolidin-1-yl)benzoic acid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_003690 |
