| SpectraBase Spectrum ID |
D46emru8aTX |
| Name |
Xipamide isomer-1 3ME |
| Classification |
Diuretic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
396.091056034 u |
| Formula |
C18H21ClN2O4S |
| InChI |
InChI=1S/C18H21ClN2O4S/c1-11-7-6-8-12(2)17(11)20-18(22)13-9-16(26(23,24)21(3)4)14(19)10-15(13)25-5/h6-10H,1-5H3,(H,20,22) |
| InChIKey |
ONLOXEVSNCPFOT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
396.889 g/mol |
| SMILES |
c1(c(cccc1C)C)NC(c1c(OC)cc(c(S(=O)(=O)N(C)C)c1)Cl)=O |
| SPLASH |
splash10-0002-3669000000-087219f06280a979f5b2 |
| 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. |
| Sample Preparation Procedure |
Detected: UME |
| 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_3083 |
