Dataset
![molecular Image]()
Chlorthalidone
Chemical Info
| 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) |
|---|---|
| SMILES | O=C(N1)c(c3)c(ccc3)C(O)1c(c2)cc(c(Cl)c2)S(N)(=O)=O |
| InChI Key | JIVPVXMEBJLZRO-UHFFFAOYSA-N |
| Molecular Formula | C14H11ClN2O4S |
| Exact Mass | 338.013 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001142 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:33:00.449501 |
| MetadataModified | 2025-02-09T20:22:10.003798 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00310 | DrugBank |
| CHEMBL1055 | ChEMBL |
| 3654 | ChEBI |
| SAM002589983 | NIH Clinical Collection |
| CHLORTHALIDONE | DailyMed |
| 25900 | BindingDB |
| J1.476A | Nikkaji |
| 7147 | Guide to Pharmacology |
| 625 | DrugCentral |
| DTXSID4022812 | EPA CompTox Dashboard |
| CHLORTALIDONE | clinicaltrials |
| HY-15833 | MedChemExpress |
| Q0MQD1073Q | FDA SRS |
| CHLORTHALIDONE | rxnorm |
| THALITONE | clinicaltrials |
| CHLORTHALIDONE | clinicaltrials |
| HYGROTON | clinicaltrials |
| 2732 | PubChem |
| chlorthalidone-chlortalidone | Selleck |
| PA448970 | PharmGKB |
| 14924761 | PubChem: Thomson Pharma |
| PD002421 | ProbesDrugs |
| LSM-1417 | LINCS |
| 77-36-1 | ACToR |
| 535944 | eMolecules |
| 5949 | Brenda |
| chlorthalidone | DailyMed |
| CB3233539 | ChemicalBook |
| HMDB0014455 | Human Metabolome Database |
| MCULE-6661021422 | Mcule |
| SCHEMBL26234 | SureChEMBL |
| The data in this table is sourced from UniChem at EBI. | |