Dataset
![molecular Image]()
Glafenine
Chemical Info
| InChI | InChI=1S/C19H17ClN2O4/c20-12-5-6-14-17(7-8-21-18(14)9-12)22-16-4-2-1-3-15(16)19(25)26-11-13(24)10-23/h1-9,13,23-24H,10-11H2,(H,21,22) |
|---|---|
| SMILES | OCC(O)COC(=O)c(c3)c(ccc3)Nc(c2)c(c1)c(nc2)cc(Cl)c1 |
| InChI Key | GWOFUCIGLDBNKM-UHFFFAOYSA-N |
| Molecular Formula | C19H17ClN2O4 |
| Exact Mass | 372.088 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-WA001552 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:44.748059 |
| MetadataModified | 2024-01-11T22:47:44.903081 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL146095 | ChEMBL |
| 538822 | eMolecules |
| J3.409F | Nikkaji |
| HMDB0252734 | Human Metabolome Database |
| MCULE-1316837644 | Mcule |
| 3474 | PubChem |
| DB08963 | DrugBank |
| PD001516 | ProbesDrugs |
| 3820-67-5 | ACToR |
| LSM-4419 | LINCS |
| SCHEMBL24246 | SureChEMBL |
| 31653 | ChEBI |
| 15251899 | PubChem: Thomson Pharma |
| 155115 | Brenda |
| 50103508 | BindingDB |
| CB5107351 | ChemicalBook |
| HY-B1153 | MedChemExpress |
| 1297 | DrugCentral |
| DTXSID1048546 | EPA CompTox Dashboard |
| 46HL4I09AH | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |