| SpectraBase Spectrum ID |
AoPUxLIIimc |
| Name |
Chlorthalidone |
| CAS Registry Number |
77-36-1 |
| Classification |
Pharmaceutical drug, diuretic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
338.012805712 u |
| Formula |
C14H11ClN2O4S |
| InChI |
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) |
| InChIKey |
JIVPVXMEBJLZRO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
338.765 g/mol |
| Nominal Mass |
338 u |
| Quality |
950 |
| SMILES |
NS(C=1C=C(C2(C=3C(C(N2)=O)=CC=CC3)O)C=CC1Cl)(=O)=O |
| SPLASH |
splash10-0fa5-6951000000-8a180d73752c495fd6df |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Chlortalidon
2-Chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000675 |
