Dataset
![molecular Image]()
Penfluridol
Chemical Info
| InChI | InChI=1S/C28H27ClF5NO/c29-26-12-7-21(18-25(26)28(32,33)34)27(36)13-16-35(17-14-27)15-1-2-24(19-3-8-22(30)9-4-19)20-5-10-23(31)11-6-20/h3-12,18,24,36H,1-2,13-17H2 |
|---|---|
| SMILES | N(CCCC(c(c4)ccc(c4)F)c(c3)ccc(c3)F)(C2)CCC(C2)(c(c1)cc(c(c1)Cl)C(F)(F)F)O |
| InChI Key | MDLAAYDRRZXJIF-UHFFFAOYSA-N |
| Molecular Formula | C28H27ClF5NO |
| Exact Mass | 523.170 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-WA002207 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:15.595234 |
| MetadataModified | 2024-01-11T22:50:15.755830 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL93939 | SureChEMBL |
| 2728755 | eMolecules |
| CB8205397 | ChemicalBook |
| DB13791 | DrugBank |
| 14811772 | PubChem: Thomson Pharma |
| penfluridol | Selleck |
| 26864-56-2 | ACToR |
| LSM-2334 | LINCS |
| PD000332 | ProbesDrugs |
| 25TLU22Q8H | FDA SRS |
| 33630 | PubChem |
| CHEMBL47050 | ChEMBL |
| HMDB0256224 | Human Metabolome Database |
| PENFLU | CCDC |
| HY-B1077 | MedChemExpress |
| ZINC000004217252 | ZINC |
| 2080 | DrugCentral |
| DTXSID5049021 | EPA CompTox Dashboard |
| 92278 | ChEBI |
| J9.798E | Nikkaji |
| PENFLURIDOL | rxnorm |
| 50026066 | BindingDB |
| The data in this table is sourced from UniChem at EBI. | |