Dataset
![molecular Image]()
Diflunisal
Chemical Info
| InChI | InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18) |
|---|---|
| SMILES | Fc(c2)cc(F)c(c2)c(c1)cc(C(O)=O)c(O)c1 |
| InChI Key | HUPFGZXOMWLGNK-UHFFFAOYSA-N |
| Molecular Formula | C13H8F2O3 |
| Exact Mass | 250.044 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-WA001479 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:45.060030 |
| MetadataModified | 2024-01-11T22:48:45.217887 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL898 | ChEMBL |
| DB00861 | DrugBank |
| C01691 | KEGG Ligand |
| 12013398 | PubChem: Drugs of the Future |
| 1FL | PDBe |
| SAM002554896 | NIH Clinical Collection |
| DTXSID5022932 | EPA CompTox Dashboard |
| 880 | DrugCentral |
| ZINC000000020243 | ZINC |
| MCULE-8281018918 | Mcule |
| HY-18342 | MedChemExpress |
| DIFLUNISAL | clinicaltrials |
| DOLOBID | clinicaltrials |
| DIFLUNISAL | rxnorm |
| DIFLUNISAL | DailyMed |
| 50240510 | BindingDB |
| FAFWIS | CCDC |
| J3.155K | Nikkaji |
| 7162 | Guide to Pharmacology |
| 3059 | PubChem |
| 537237 | eMolecules |
| LSM-2490 | LINCS |
| 7C546U4DEN | FDA SRS |
| PD002374 | ProbesDrugs |
| SCHEMBL4337 | SureChEMBL |
| 22494-42-4 | ACToR |
| 39669 | ChEBI |
| PA449313 | PharmGKB |
| 15221177 | PubChem: Thomson Pharma |
| CB9674965 | ChemicalBook |
| 5759 | Brenda |
| HMDB0014999 | Human Metabolome Database |
| diflunisal | DailyMed |
| The data in this table is sourced from UniChem at EBI. | |