| SpectraBase Spectrum ID |
5W9SR9I29bs |
| Name |
Hydroxychloroquine |
| CAS Registry Number |
118-42-3 |
| Classification |
Pharmaceutical drug, antimalarial |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
335.176440168 u |
| Formula |
C18H26ClN3O |
| InChI |
InChI=1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21) |
| InChIKey |
XXSMGPRMXLTPCZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
335.879 g/mol |
| Nominal Mass |
335 u |
| Quality |
914 |
| Retention Index |
2872 |
| SMILES |
OCCN(CCCC(NC=1C=2C(=CC(=CC2)Cl)N=CC1)C)CC |
| SPLASH |
splash10-0f6t-4962000000-5cd6021c6b859e4dca02 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[4-[(7-Chloroquinolin-4-yl)amino]pentyl-ethyl-amino]ethanol |
| Technique |
GC/MS |
| Wiley ID |
DD2024_005289 |
