Dataset
![molecular Image]()
Gabapentin
Chemical Info
| InChI | InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
|---|---|
| SMILES | NCC(C1)(CCCC1)CC(O)=O |
| InChI Key | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.126 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-WA001911 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:46:28.460322 |
| MetadataModified | 2024-01-11T22:46:28.624683 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL940 | ChEMBL |
| DB00996 | DrugBank |
| 12012796 | PubChem: Drugs of the Future |
| GBN | PDBe |
| 538632 | eMolecules |
| QIMKIG | CCDC |
| 50080153 | BindingDB |
| GABAPENTIN | DailyMed |
| GABAPENTIN | rxnorm |
| NEURONTIN | rxnorm |
| GRALISE | rxnorm |
| DM-1796 | clinicaltrials |
| GRALISE | clinicaltrials |
| GABAPENTIN | clinicaltrials |
| HY-A0057 | MedChemExpress |
| DTXSID0020074 | EPA CompTox Dashboard |
| 1264 | DrugCentral |
| ZINC000000004949 | ZINC |
| 9643 | Brenda |
| HMDB0005015 | Human Metabolome Database |
| CB3263316 | ChemicalBook |
| gabapentin | DailyMed |
| CB03374713 | ChemicalBook |
| PD000719 | ProbesDrugs |
| 42797 | ChEBI |
| 6CW7F3G59X | FDA SRS |
| LSM-5716 | LINCS |
| SCHEMBL8343 | SureChEMBL |
| 60142-96-3 | ACToR |
| PA449720 | PharmGKB |
| Gabapentin(Neurontin) | Selleck |
| 15171186 | PubChem: Thomson Pharma |
| 3446 | PubChem |
| 6919078 | PubChem |
| MCULE-5392848565 | Mcule |
| 5483 | Guide to Pharmacology |
| J39.388F | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |