Dataset
![molecular Image]()
Methadone
Chemical Info
| InChI | InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 |
|---|---|
| SMILES | CN(C)C(C)CC(C(=O)CC)(c(c2)cccc2)c(c1)cccc1 |
| InChI Key | USSIQXCVUWKGNF-UHFFFAOYSA-N |
| Molecular Formula | C21H27NO |
| Exact Mass | 309.209 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-WA001061 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:58.462622 |
| MetadataModified | 2024-01-11T22:47:58.635035 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00333 | DrugBank |
| CHEMBL651 | ChEMBL |
| C07163 | KEGG Ligand |
| 979329 | eMolecules |
| methadone | DailyMed |
| HMDB0014477 | Human Metabolome Database |
| DTXSID7023273 | EPA CompTox Dashboard |
| UC6VBE7V1Z | FDA SRS |
| 82507 | BindingDB |
| METHADONE | DailyMed |
| METHADONE HYDROCHLORIDE | rxnorm |
| DOLOPHINE | rxnorm |
| METHADONE | rxnorm |
| METHADOSE | rxnorm |
| METHADOSE | clinicaltrials |
| 167309 | ChEBI |
| METHADONE | clinicaltrials |
| METHADONE HYDROCHLORIDE | clinicaltrials |
| DOLOPHINE | clinicaltrials |
| DOLOPHINE HYDROCHLORIDE | clinicaltrials |
| HEPTADON | clinicaltrials |
| 1728 | DrugCentral |
| 4095 | PubChem |
| PD010093 | ProbesDrugs |
| 297-88-1 | ACToR |
| 14849984 | PubChem: Thomson Pharma |
| SCHEMBL34140 | SureChEMBL |
| PA450401 | PharmGKB |
| 76-99-3 | ACToR |
| 5458 | Guide to Pharmacology |
| J4.190D | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |