Dataset
![molecular Image]()
Acemetacin
Chemical Info
| InChI | InChI=1S/C21H18ClNO6/c1-12-16(10-20(26)29-11-19(24)25)17-9-15(28-2)7-8-18(17)23(12)21(27)13-3-5-14(22)6-4-13/h3-9H,10-11H2,1-2H3,(H,24,25) |
|---|---|
| SMILES | Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)Cl)OC)CC(=O)OCC(=O)O |
| InChI Key | FSQKKOOTNAMONP-UHFFFAOYSA-N |
| Molecular Formula | C21H18ClNO6 |
| Exact Mass | 415.082 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-Athens_Univ-AU215102 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:53:00.929022 |
| MetadataModified | 2025-02-08T19:05:34.202878 |
| MetadataPublished | 2016-02-21 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 533886 | eMolecules |
| 1981 | PubChem |
| PD001649 | ProbesDrugs |
| ACEMETACIN | clinicaltrials |
| RANTUDIL | clinicaltrials |
| 14806697 | PubChem: Thomson Pharma |
| LSM-5753 | LINCS |
| 53164-05-9 | ACToR |
| SCHEMBL23843 | SureChEMBL |
| acemetacin-emflex | Selleck |
| 5V141XK28X | FDA SRS |
| CB1492822 | ChemicalBook |
| DB13783 | DrugBank |
| 31162 | ChEBI |
| J3.194A | Nikkaji |
| FEPJOB | CCDC |
| ACEMETACIN | rxnorm |
| HY-B0482 | MedChemExpress |
| MCULE-3371205328 | Mcule |
| DTXSID7022540 | EPA CompTox Dashboard |
| 50336272 | BindingDB |
| HMDB0247898 | Human Metabolome Database |
| 47 | DrugCentral |
| ZINC000000601272 | ZINC |
| PA166049184 | PharmGKB |
| 12013312 | PubChem: Drugs of the Future |
| CHEMBL189171 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |