Dataset
![molecular Image]()
Letrozole
Chemical Info
| InChI | InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 |
| InChI Key | HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| Molecular Formula | C17H11N5 |
| Exact Mass | 285.101 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00358503 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2025-02-09T09:58:45.866135 |
| MetadataModified | 2025-02-09T09:58:46.047517 |
| MetadataPublished | 2024-06-14 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB01006 | DrugBank |
| C08163 | KEGG Ligand |
| CHEMBL1444 | ChEMBL |
| 6413 | ChEBI |
| SAM001246649 | NIH Clinical Collection |
| LETROZOLE | clinicaltrials |
| DTXSID4023202 | EPA CompTox Dashboard |
| CGS-20267 | clinicaltrials |
| CGS 20267 | clinicaltrials |
| FEMARA | clinicaltrials |
| HY-14248 | MedChemExpress |
| UKAKIA | CCDC |
| LETROZOLE | DailyMed |
| LETROZOLE | rxnorm |
| FEMARA | rxnorm |
| 5209 | Guide to Pharmacology |
| J390.644B | Nikkaji |
| 1556 | DrugCentral |
| 13061 | BindingDB |
| 12014531 | PubChem: Drugs of the Future |
| SCHEMBL4331 | SureChEMBL |
| 18195 | Brenda |
| HMDB0015141 | Human Metabolome Database |
| CB9286355 | ChemicalBook |
| letrozole | DailyMed |
| ZINC000003778874 | ZINC |
| 902038 | eMolecules |
| 3902 | PubChem |
| PD001661 | ProbesDrugs |
| 7LKK855W8I | FDA SRS |
| LSM-3980 | LINCS |
| 14799856 | PubChem: Thomson Pharma |
| PA450196 | PharmGKB |
| Letrozole | Selleck |
| 112809-51-5 | ACToR |
| The data in this table is sourced from UniChem at EBI. | |