Dataset
![molecular Image]()
Lamotrigine
Chemical Info
| InChI | InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16) |
|---|---|
| SMILES | Nc(n2)nc(N)c(n2)c(c1)c(Cl)c(Cl)cc1 |
| InChI Key | PYZRQGJRPPTADH-UHFFFAOYSA-N |
| Molecular Formula | C9H7Cl2N5 |
| Exact Mass | 255.008 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-WA001271 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:52.130099 |
| MetadataModified | 2024-01-11T22:50:52.319826 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL741 | ChEMBL |
| 6367 | ChEBI |
| SAM001246697 | NIH Clinical Collection |
| 2622 | Guide to Pharmacology |
| DB00555 | DrugBank |
| 12013463 | PubChem: Drugs of the Future |
| LAMOTRIGINE | DailyMed |
| 50031299 | BindingDB |
| LAMICTAL | rxnorm |
| BW 430C | clinicaltrials |
| BW-430C | clinicaltrials |
| LAMICTAL | clinicaltrials |
| LAMOTRIGINE | clinicaltrials |
| HY-B0495 | MedChemExpress |
| DTXSID2023195 | EPA CompTox Dashboard |
| 1540 | DrugCentral |
| ZINC000000013156 | ZINC |
| J25.814H | Nikkaji |
| EFEMUX | CCDC |
| LAMOTRIGINE | rxnorm |
| CB4166704 | ChemicalBook |
| lamotrigine | DailyMed |
| 169768 | Brenda |
| 7741 | Brenda |
| HMDB0014695 | Human Metabolome Database |
| lamotrigine | Selleck |
| 14823602 | PubChem: Thomson Pharma |
| PA450164 | PharmGKB |
| LSM-4104 | LINCS |
| PD000352 | ProbesDrugs |
| U3H27498KS | FDA SRS |
| 84057-84-1 | ACToR |
| IYJ | PDBe |
| 3878 | PubChem |
| SCHEMBL35439 | SureChEMBL |
| MCULE-7648410888 | Mcule |
| 578746 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |