| SpectraBase Spectrum ID |
CCQYoIWmIWI |
| Name |
Dronedarone |
| CAS Registry Number |
141626-36-0 |
| Classification |
Antiarrhythmic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
556.297093694 u |
| Formula |
C31H44N2O5S |
| InChI |
InChI=1S/C31H44N2O5S/c1-5-8-12-29-30(27-23-25(32-39(4,35)36)15-18-28(27)38-29)31(34)24-13-16-26(17-14-24)37-22-11-21-33(19-9-6-2)20-10-7-3/h13-18,23,32H,5-12,19-22H2,1-4H3 |
| InChIKey |
ZQTNQVWKHCQYLQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
556.762 g/mol |
| SMILES |
c12cc(ccc2oc(c1C(c1ccc(cc1)OCCCN(CCCC)CCCC)=O)CCCC)NS(C)(=O)=O |
| SPLASH |
splash10-0zfu-8910000000-4aff8f83b7c94bbac0ca |
| 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_8450 |
