| SpectraBase Spectrum ID |
DoRid2RDRFg |
| Name |
Mefruside |
| CAS Registry Number |
7195-27-9 |
| Classification |
Pharmaceutical drug, diuretic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
382.042391763 u |
| Formula |
C13H19ClN2O5S2 |
| InChI |
InChI=1S/C13H19ClN2O5S2/c1-13(6-3-7-21-13)9-16(2)23(19,20)10-4-5-11(14)12(8-10)22(15,17)18/h4-5,8H,3,6-7,9H2,1-2H3,(H2,15,17,18) |
| InChIKey |
SMNOERSLNYGGOU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
382.877 g/mol |
| Nominal Mass |
382 u |
| Quality |
997 |
| Retention Index |
2739 |
| SMILES |
NS(C1=CC(S(N(CC2(OCCC2)C)C)(=O)=O)=CC=C1Cl)(=O)=O |
| SPLASH |
splash10-000l-9000000000-cf072c8e230c58a37e33 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Chloro-N-methyl-N-[(2-methyloxolan-2-yl)methyl]benzene-1,3-disulfonamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_001900 |
