Dataset
![molecular Image]()
Phenacetin
Chemical Info
| InChI | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12) |
|---|---|
| SMILES | CCOc(c1)ccc(NC(C)=O)c1 |
| InChI Key | CPJSUEIXXCENMM-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
| Exact Mass | 179.095 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-WA002334 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:13.926914 |
| MetadataModified | 2024-01-11T22:48:14.107210 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB03783 | DrugBank |
| CHEMBL16073 | ChEMBL |
| N4E | PDBe |
| 8050 | ChEBI |
| C07591 | KEGG Ligand |
| PHENACETIN | rxnorm |
| HY-B0476 | MedChemExpress |
| PHENACETIN | DailyMed |
| ZINC000000000602 | ZINC |
| PYRAZB | CCDC |
| HMDB0256387 | Human Metabolome Database |
| J2.348E | Nikkaji |
| 2115 | DrugCentral |
| 50420191 | BindingDB |
| DTXSID1021116 | EPA CompTox Dashboard |
| 7402 | Guide to Pharmacology |
| CB44796969 | ChemicalBook |
| CB6141828 | ChemicalBook |
| phenacetin | DailyMed |
| SCHEMBL20476396 | SureChEMBL |
| 12655 | Brenda |
| 111271 | Brenda |
| 126685 | Brenda |
| 128794 | Brenda |
| 111270 | Brenda |
| 14748329 | PubChem: Thomson Pharma |
| PD001703 | ProbesDrugs |
| ER0CTH01H9 | FDA SRS |
| phenacetin | Selleck |
| LSM-2851 | LINCS |
| 62-44-2 | ACToR |
| PA450897 | PharmGKB |
| phenacetin | Atlas |
| SCHEMBL23280 | SureChEMBL |
| 89616 | NMRShiftDB |
| 4754 | PubChem |
| MCULE-2069106916 | Mcule |
| 490668 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |