Dataset
![molecular Image]()
Acamprosate
Chemical Info
| InChI | InChI=1S/C5H11NO4S/c1-5(7)6-3-2-4-11(8,9)10/h2-4H2,1H3,(H,6,7)(H,8,9,10) |
|---|---|
| SMILES | CC(=O)NCCCS(O)(=O)=O |
| InChI Key | AFCGFAGUEYAMAO-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO4S |
| Exact Mass | 181.041 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-WA001359 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:45:31.326891 |
| MetadataModified | 2025-02-09T20:23:48.433985 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 71158 | PubChem |
| PD009865 | ProbesDrugs |
| 15120629 | PubChem: Thomson Pharma |
| 77337-76-9 | ACToR |
| N4K14YGM3J | FDA SRS |
| HMDB0014797 | Human Metabolome Database |
| PA10344 | PharmGKB |
| acamprosate | DailyMed |
| SCHEMBL41983 | SureChEMBL |
| ACAMPROSATE | rxnorm |
| ACAMPROSATE CALCIUM | rxnorm |
| ACAMPROSATE CALCIUM | clinicaltrials |
| CAMPRAL | clinicaltrials |
| AOTAL | clinicaltrials |
| ACAMPROSATE | clinicaltrials |
| ACAMPROSATE | DailyMed |
| LSM-43113 | LINCS |
| DTXSID3044259 | EPA CompTox Dashboard |
| ZINC000001554588 | ZINC |
| 38 | DrugCentral |
| J309.380H | Nikkaji |
| CB6918820 | ChemicalBook |
| 7106 | Guide to Pharmacology |
| DB00659 | DrugBank |
| CHEMBL1201293 | ChEMBL |
| 51041 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |