Dataset
![molecular Image]()
Venlafaxine
Chemical Info
| InChI | InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3 |
|---|---|
| SMILES | COc(c2)ccc(c2)C(CN(C)C)C(O)(C1)CCCC1 |
| InChI Key | PNVNVHUZROJLTJ-UHFFFAOYSA-N |
| Molecular Formula | C17H27NO2 |
| Exact Mass | 277.204 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-WA000320 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:17.930309 |
| MetadataModified | 2024-01-11T22:48:18.103809 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 902654 | eMolecules |
| CHEMBL637 | ChEMBL |
| 9943 | ChEBI |
| C07187 | KEGG Ligand |
| DB00285 | DrugBank |
| CB42567671 | ChemicalBook |
| HMDB0005016 | Human Metabolome Database |
| CB7136180 | ChemicalBook |
| venlafaxine | DailyMed |
| 210372 | Brenda |
| 82071 | BindingDB |
| GRZ5RCB1QG | FDA SRS |
| HY-B0196 | MedChemExpress |
| DTXSID6023737 | EPA CompTox Dashboard |
| EFFEXOR | clinicaltrials |
| 2813 | DrugCentral |
| WY-45030 | clinicaltrials |
| VENLAFAXINE | clinicaltrials |
| VENLAFAXINE | rxnorm |
| EFFEXOR | rxnorm |
| VENLAFAXINE HYDROCHLORIDE | rxnorm |
| VENLAFAXINE | DailyMed |
| VENLAFAXINE HYDROCHLORIDE | clinicaltrials |
| CB14918799 | ChemicalBook |
| 5656 | PubChem |
| SCHEMBL35154 | SureChEMBL |
| MCULE-6632261838 | Mcule |
| 7321 | Guide to Pharmacology |
| J347.732K | Nikkaji |
| PD010124 | ProbesDrugs |
| 15222119 | PubChem: Thomson Pharma |
| PA451866 | PharmGKB |
| LSM-1616 | LINCS |
| 93413-69-5 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |