Dataset
![molecular Image]()
Methylphenidate
Chemical Info
| InChI | InChI=1S/C14H19NO2/c1-17-14(16)13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-4,7-8,12-13,15H,5-6,9-10H2,1H3 |
|---|---|
| SMILES | COC(=O)C(C(C2)NCCC2)c(c1)cccc1 |
| InChI Key | DUGOZIWVEXMGBE-UHFFFAOYSA-N |
| Molecular Formula | C14H19NO2 |
| Exact Mass | 233.142 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-WA001252 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:51.023207 |
| MetadataModified | 2024-01-11T22:50:51.188118 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 4158 | PubChem |
| 7236 | Guide to Pharmacology |
| J5.133K | Nikkaji |
| QUILLIVANT | clinicaltrials |
| 113-45-1 | ACToR |
| PD010035 | ProbesDrugs |
| SCHEMBL37178 | SureChEMBL |
| PA450464 | PharmGKB |
| 14798219 | PubChem: Thomson Pharma |
| EQUASYM | clinicaltrials |
| EQUASYM XL | clinicaltrials |
| QUILLICHEW | clinicaltrials |
| SPD-544 | clinicaltrials |
| SPD544 | clinicaltrials |
| RITALIN | clinicaltrials |
| COTEMPLA XR-ODT | clinicaltrials |
| CONCERTA | clinicaltrials |
| 84276 | ChEBI |
| DTXSID5023299 | EPA CompTox Dashboard |
| 1767 | DrugCentral |
| 50062912 | BindingDB |
| METHYLPHENIDATE | DailyMed |
| RITALIN | rxnorm |
| CONCERTA | rxnorm |
| METHYLPHENIDATE HYDROCHLORIDE | rxnorm |
| METHYLPHENIDATE | rxnorm |
| METHYLIN | rxnorm |
| DAYTRANA | rxnorm |
| JORNAY PM | clinicaltrials |
| DAYTRANA | clinicaltrials |
| METHYLPHENIDATE HYDROCHLORIDE | clinicaltrials |
| METHYLIN | clinicaltrials |
| METHYLPHENIDATE | clinicaltrials |
| METADATE | clinicaltrials |
| METADATE CD | clinicaltrials |
| METADATE ER | clinicaltrials |
| APTENSIO XR | clinicaltrials |
| APTENSIO | clinicaltrials |
| ADHANSIA XR | clinicaltrials |
| FOQUEST | clinicaltrials |
| methylphenidate | DailyMed |
| 148403 | Brenda |
| 75630 | Brenda |
| PA10054 | PharmGKB |
| HMDB0014566 | Human Metabolome Database |
| 161165 | Brenda |
| DB00422 | DrugBank |
| C07196 | KEGG Ligand |
| CHEMBL796 | ChEMBL |
| 24848 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |