Dataset
![molecular Image]()
Chloroquine
Chemical Info
| InChI | InChI=1S/C18H26ClN3/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21) |
|---|---|
| SMILES | CCN(CC)CCCC(C)Nc(c2)c(c1)c(nc2)cc(Cl)c1 |
| InChI Key | WHTVZRBIWZFKQO-UHFFFAOYSA-N |
| Molecular Formula | C18H26ClN3 |
| Exact Mass | 319.182 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-WA000967 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:41.113636 |
| MetadataModified | 2024-01-11T22:49:41.277562 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL76 | ChEMBL |
| 3638 | ChEBI |
| 740214 | eMolecules |
| AVLOCLOR | clinicaltrials |
| NIVAQUINE | clinicaltrials |
| RESOCHIN | clinicaltrials |
| HY-17589A | MedChemExpress |
| 886U3H6UFF | FDA SRS |
| 239395 | Brenda |
| DTXSID2040446 | EPA CompTox Dashboard |
| 607 | DrugCentral |
| 22985 | BindingDB |
| CB7284322 | ChemicalBook |
| CHLOROQUINE | DailyMed |
| 229265 | Brenda |
| 229266 | Brenda |
| CHLOROQUINE SULFATE | rxnorm |
| CHLOROQUINE HYDROCHLORIDE | rxnorm |
| CHLOROQUINE | rxnorm |
| CHLOROQUINE PHOSPHATE | rxnorm |
| ARALEN | clinicaltrials |
| ARECHIN | clinicaltrials |
| CHLOROQUINE | clinicaltrials |
| CHLOROQUINE DIPHOSPHATE | clinicaltrials |
| CHLOROQUINE HYDROCHLORIDE | clinicaltrials |
| CHLOROQUINE PHOSPHATE | clinicaltrials |
| CHLOROQUINE SULFATE | clinicaltrials |
| CHLOROQUINE SULPHATE | clinicaltrials |
| DB00608 | DrugBank |
| C07625 | KEGG Ligand |
| chloroquine | DailyMed |
| HMDB0014746 | Human Metabolome Database |
| 83797 | Brenda |
| 66870 | Brenda |
| 29852 | Brenda |
| 1439 | Brenda |
| MCULE-3610827164 | Mcule |
| SCHEMBL8933 | SureChEMBL |
| J107.997B | Nikkaji |
| 5535 | Guide to Pharmacology |
| 10019311 | NMRShiftDB |
| 2719 | PubChem |
| PD009894 | ProbesDrugs |
| LSM-1901 | LINCS |
| 58175-87-4 | ACToR |
| 14776983 | PubChem: Thomson Pharma |
| 58175-86-3 | ACToR |
| 56598-66-4 | ACToR |
| PA448948 | PharmGKB |
| 54-05-7 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |