Dataset
![molecular Image]()
Flupentixol
Chemical Info
| InChI | InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5- |
|---|---|
| SMILES | OCCN(C4)CCN(C4)CCC=C(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1 |
| InChI Key | NJMYODHXAKYRHW-DVZOWYKESA-N |
| Molecular Formula | C23H25F3N2OS |
| Exact Mass | 434.164 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-WA002114 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:03.170476 |
| MetadataModified | 2025-02-09T20:25:35.943656 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DTXSID9046310 | EPA CompTox Dashboard |
| 79172 | BindingDB |
| FLUPENTIXOL | clinicaltrials |
| 10454 | ChEBI |
| FLPNTX | CCDC |
| J10.870G | Nikkaji |
| LSM-43011 | LINCS |
| DB00875 | DrugBank |
| C11191 | KEGG Ligand |
| 948 | Guide to Pharmacology |
| CHEMBL54661 | ChEMBL |
| PD050297 | ProbesDrugs |
| FA0UYH6QUO | FDA SRS |
| 5281881 | PubChem |
| 2709-56-0 | ACToR |
| 14807748 | PubChem: Thomson Pharma |
| 53772-82-0 | ACToR |
| SCHEMBL34200 | SureChEMBL |
| 151908 | Brenda |
| 38545 | Brenda |
| ZINC000029489118 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |