Dataset
![molecular Image]()
Warfarin
Chemical Info
| InChI | InChI=1S/C19H16O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,15,21H,11H2,1H3 |
|---|---|
| SMILES | CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=CC=CC=C2OC1=O |
| InChI Key | PJVWKTKQMONHTI-UHFFFAOYSA-N |
| Molecular Formula | C19H16O4 |
| Exact Mass | 308.105 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF404204 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:44:26.755985 |
| MetadataModified | 2025-02-09T19:45:51.318533 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| warfarin | DailyMed |
| HMDB0001935 | Human Metabolome Database |
| 719 | Brenda |
| 78827 | Brenda |
| 75368 | Brenda |
| 75367 | Brenda |
| 132281 | Brenda |
| MCULE-1618253893 | Mcule |
| 54678486 | PubChem |
| 14825580 | PubChem: Thomson Pharma |
| PD001720 | ProbesDrugs |
| DB00682 | DrugBank |
| 81-81-2 | ACToR |
| SCHEMBL3689 | SureChEMBL |
| LSM-1405 | LINCS |
| WARFARIN | DailyMed |
| 50343352 | BindingDB |
| WARFARIN POTASSIUM | rxnorm |
| COUMADIN | rxnorm |
| WARFARIN | rxnorm |
| JANTOVEN | rxnorm |
| APO-WARFARIN | clinicaltrials |
| JANTOVEN | clinicaltrials |
| COUMADIN | clinicaltrials |
| WARFARIN | clinicaltrials |
| WARFARIN POTASSIUM | clinicaltrials |
| WARFARIN SODIUM | clinicaltrials |
| ATHROMBIN-K | clinicaltrials |
| 5Q7ZVV76EI | FDA SRS |
| 87732 | ChEBI |
| DTXSID5023742 | EPA CompTox Dashboard |
| 2847 | DrugCentral |
| 6853 | Guide to Pharmacology |
| J3.862H | Nikkaji |
| WARFARIN SODIUM | rxnorm |
| 510315 | eMolecules |
| CHEMBL1464 | ChEMBL |
| C01541 | KEGG Ligand |
| The data in this table is sourced from UniChem at EBI. | |