Dataset
![molecular Image]()
Primaquine
Chemical Info
| InChI | InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3 |
|---|---|
| SMILES | NCCCC(C)Nc(c1)c(n2)c(ccc2)cc(OC)1 |
| InChI Key | INDBQLZJXZLFIT-UHFFFAOYSA-N |
| Molecular Formula | C15H21N3O |
| Exact Mass | 259.168 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-FIO00461 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:36:02.759758 |
| MetadataModified | 2025-02-09T13:14:38.817073 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB01087 | DrugBank |
| CHEMBL506 | ChEMBL |
| C07627 | KEGG Ligand |
| 229812 | Brenda |
| 71542 | BindingDB |
| 229813 | Brenda |
| PRIMAQUINE | DailyMed |
| PRIMAQUINE | rxnorm |
| PRIMAQUINE PHOSPHATE | rxnorm |
| PRIMAQUINE | clinicaltrials |
| J4.316H | Nikkaji |
| PRIMAQUINE DIPHOSPHATE | clinicaltrials |
| NEO-QUIPENYL | clinicaltrials |
| 2266 | DrugCentral |
| PRIMAQUINE PHOSPHATE | clinicaltrials |
| 239398 | Brenda |
| DTXSID8023509 | EPA CompTox Dashboard |
| MVR3634GX1 | FDA SRS |
| CB0875785 | ChemicalBook |
| 4908 | PubChem |
| 14798934 | PubChem: Thomson Pharma |
| 70103121 | NMRShiftDB |
| PA451103 | PharmGKB |
| LSM-1649 | LINCS |
| SCHEMBL22207 | SureChEMBL |
| 90-34-6 | ACToR |
| PD009815 | ProbesDrugs |
| 1077024 | eMolecules |
| HMDB0015219 | Human Metabolome Database |
| 9952 | Guide to Pharmacology |
| primaquine | DailyMed |
| 5715 | Brenda |
| 83785 | Brenda |
| MCULE-1557087031 | Mcule |
| 8405 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |