Dataset
Bumetanide
Chemical Info
InChI | InChI=1S/C17H20N2O5S/c1-2-3-9-19-14-10-12(17(20)21)11-15(25(18,22)23)16(14)24-13-7-5-4-6-8-13/h4-8,10-11,19H,2-3,9H2,1H3,(H,20,21)(H2,18,22,23) |
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SMILES | CCCCNc(c1)c(Oc(c2)cccc2)c(cc(C(O)=O)1)S(N)(=O)=O |
InChI Key | MAEIEVLCKWDQJH-UHFFFAOYSA-N |
Molecular Formula | C17H20N2O5S |
Exact Mass | 364.109 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-WA001778 |
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Author | |
Maintainer | |
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MetadataCreated | 2024-01-11T22:31:19.531088 |
MetadataModified | 2025-02-09T20:24:50.604681 |
MetadataPublished | 2016-01-19 |
Related Molecule |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |