Dataset
![molecular Image]()
Zolmitriptan
Chemical Info
| InChI | InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1 |
|---|---|
| SMILES | CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3 |
| InChI Key | ULSDMUVEXKOYBU-ZDUSSCGKSA-N |
| Molecular Formula | C16H21N3O2 |
| Exact Mass | 287.163 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-WA002411 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:42.402798 |
| MetadataModified | 2024-01-11T22:49:42.563077 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| TIBNEY | CCDC |
| J694.097H | Nikkaji |
| 60857 | PubChem |
| PD000525 | ProbesDrugs |
| 2FS66TH3YW | FDA SRS |
| LSM-3208 | LINCS |
| 139264-17-8 | ACToR |
| 14897880 | PubChem: Thomson Pharma |
| Zolmitriptan(Zomig) | Selleck |
| 14922369 | PubChem: Thomson Pharma |
| SCHEMBL33336 | SureChEMBL |
| ZINC000000015515 | ZINC |
| ZOLMITRIPTAN | DailyMed |
| ZOLMITRIPTAN | rxnorm |
| ZOLMITRIPTAN | clinicaltrials |
| 311-C-90 | clinicaltrials |
| 311C90 | clinicaltrials |
| 50033383 | BindingDB |
| DTXSID8045933 | EPA CompTox Dashboard |
| ZOMIG | clinicaltrials |
| ZOMIG | rxnorm |
| 2869 | DrugCentral |
| HMDB0014460 | Human Metabolome Database |
| zolmitriptan | DailyMed |
| DB00315 | DrugBank |
| CB3313219 | ChemicalBook |
| SAM001246841 | NIH Clinical Collection |
| 10124 | ChEBI |
| 60 | Guide to Pharmacology |
| C07218 | KEGG Ligand |
| 12014671 | PubChem: Drugs of the Future |
| CHEMBL1185 | ChEMBL |
| 2729142 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |