Dataset
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) |
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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 |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001361 |
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MetadataCreated | 2024-01-11T22:42:53.211018 |
MetadataModified | 2025-02-09T20:27:16.191707 |
MetadataPublished | 2016-01-19 |
Related Molecule |