Dataset
![molecular Image]()
Benflurorex
Chemical Info
| InChI | InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3 |
|---|---|
| SMILES | CC(NCCOC(=O)c(c2)cccc2)Cc(c1)cc(cc1)C(F)(F)F |
| InChI Key | CJAVTWRYCDNHSM-UHFFFAOYSA-N |
| Molecular Formula | C19H20F3NO2 |
| Exact Mass | 351.145 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-WA001620 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:59.510614 |
| MetadataModified | 2024-01-11T22:49:59.715257 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| PD009068 | ProbesDrugs |
| LSM-4365 | LINCS |
| 15447380 | PubChem: Thomson Pharma |
| SCHEMBL163648 | SureChEMBL |
| 23602-78-0 | ACToR |
| 22395601 | PubChem: Drugs of the Future |
| CHEMBL400599 | ChEMBL |
| 535366 | eMolecules |
| BENFLUOREX | rxnorm |
| BENFLUOREX | clinicaltrials |
| 403FO0NQG3 | FDA SRS |
| 93826 | ChEBI |
| DTXSID5048471 | EPA CompTox Dashboard |
| 307 | DrugCentral |
| J20.616D | Nikkaji |
| MCULE-6007979832 | Mcule |
| 2318 | PubChem |
| HMDB0248949 | Human Metabolome Database |
| DB09022 | DrugBank |
| The data in this table is sourced from UniChem at EBI. | |