Dataset
![molecular Image]()
Topiramate
Chemical Info
| InChI | InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1 |
|---|---|
| SMILES | NS(=O)(=O)OCC(O2)(O3)C([H])(OC(C)(C)3)C([H])(O1)C([H])(C2)OC(C)(C)1 |
| InChI Key | KJADKKWYZYXHBB-XBWDGYHZSA-N |
| Molecular Formula | C12H21NO8S |
| Exact Mass | 339.099 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-WA001877 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:42:24.126446 |
| MetadataModified | 2025-02-09T20:20:09.993063 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CB7402630 | ChemicalBook |
| topiramate | DailyMed |
| PA451728 | PharmGKB |
| 166019 | Brenda |
| 191445 | Brenda |
| HMDB0005034 | Human Metabolome Database |
| ZINC000095616603 | ZINC |
| MCULE-9403222429 | Mcule |
| 5284627 | PubChem |
| PD000722 | ProbesDrugs |
| QUDEXY | clinicaltrials |
| 63631 | ChEBI |
| topiramate | Atlas |
| 0H73WJJ391 | FDA SRS |
| 14924784 | PubChem: Thomson Pharma |
| LSM-5435 | LINCS |
| 97240-79-4 | ACToR |
| Topiramate | Selleck |
| 14777895 | PubChem: Thomson Pharma |
| SCHEMBL34631 | SureChEMBL |
| 29547217 | eMolecules |
| 594585 | eMolecules |
| 29548990 | eMolecules |
| DB00273 | DrugBank |
| CHEMBL220492 | ChEMBL |
| C07502 | KEGG Ligand |
| TOR | PDBe |
| SAM001246601 | NIH Clinical Collection |
| 12013555 | PubChem: Drugs of the Future |
| TOPIRAMATE | DailyMed |
| 10887 | BindingDB |
| TOPIRAMATE | rxnorm |
| TOPAMAX | rxnorm |
| USL-255 | clinicaltrials |
| USL255 | clinicaltrials |
| TOPIMAX | clinicaltrials |
| TOPIRAMATE | clinicaltrials |
| TOPOMAX | clinicaltrials |
| TOPAMAX | clinicaltrials |
| RWJ-17021 | clinicaltrials |
| RWJ-17021-000 | clinicaltrials |
| MCN-4853 | clinicaltrials |
| HY-B0122 | MedChemExpress |
| DTXSID8023688 | EPA CompTox Dashboard |
| 2706 | DrugCentral |
| 6849 | Guide to Pharmacology |
| J345.989F | Nikkaji |
| SEQKAA | CCDC |
| QUDEXY | rxnorm |
| 227498 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |