Dataset
![molecular Image]()
Mepacrine
Chemical Info
| InChI | InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26) |
|---|---|
| SMILES | CCN(CC)CCCC(C)Nc(c21)c(c3)c(ccc(OC)3)nc(cc(Cl)cc2)1 |
| InChI Key | GPKJTRJOBQGKQK-UHFFFAOYSA-N |
| Molecular Formula | C23H30ClN3O |
| Exact Mass | 399.208 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-Fiocruz-FIO00471 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:41:10.156317 |
| MetadataModified | 2024-01-11T16:41:10.340840 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL7568 | ChEMBL |
| C07339 | KEGG Ligand |
| 8711 | ChEBI |
| DB01103 | DrugBank |
| 1221687 | eMolecules |
| 27523606 | eMolecules |
| 237 | PubChem |
| PD009806 | ProbesDrugs |
| CB7138654 | ChemicalBook |
| PA164745551 | PharmGKB |
| LSM-1577 | LINCS |
| 83-89-6 | ACToR |
| 66777-81-9 | ACToR |
| SCHEMBL19225 | SureChEMBL |
| 14781277 | PubChem: Thomson Pharma |
| 10172 | Guide to Pharmacology |
| HMDB0015235 | Human Metabolome Database |
| 29761 | Brenda |
| 38969 | Brenda |
| 5181 | Brenda |
| 1593 | Brenda |
| 171917 | Brenda |
| 98049 | Brenda |
| 105492 | Brenda |
| 107156 | Brenda |
| 44829 | Brenda |
| MolPort-001-739-072 | MolPort |
| QUINACRINE | rxnorm |
| QUINACRINE HYDROCHLORIDE | clinicaltrials |
| ATABRINE | clinicaltrials |
| 2338 | DrugCentral |
| MEPACRINE | clinicaltrials |
| H0C805XYDE | FDA SRS |
| DTXSID7022627 | EPA CompTox Dashboard |
| QUINACRINE | clinicaltrials |
| 50015214 | BindingDB |
| J3.877F | Nikkaji |
| MCULE-3049117865 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |