Dataset
Piretanide
Chemical Info
InChI | InChI=1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) |
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SMILES | OC(=O)c(c1)cc(S(N)(=O)=O)c(Oc(c3)cccc3)c1N(C2)CCC2 |
InChI Key | UJEWTUDSLQGTOA-UHFFFAOYSA-N |
Molecular Formula | C17H18N2O5S |
Exact Mass | 362.094 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-WA000703 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:49:48.867003 |
MetadataModified | 2024-01-11T22:49:49.048322 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL349803 | ChEMBL |
DB02925 | DrugBank |
12013328 | PubChem: Drugs of the Future |
31593228 | eMolecules |
PD007951 | ProbesDrugs |
DQ6KK6GV93 | FDA SRS |
14876908 | PubChem: Thomson Pharma |
55837-27-9 | ACToR |
LSM-3959 | LINCS |
56888 | Brenda |
CB4142755 | ChemicalBook |
4742 | Guide to Pharmacology |
4849 | PubChem |
J3.520C | Nikkaji |
HMDB0256593 | Human Metabolome Database |
SCHEMBL49473 | SureChEMBL |
ZINC000003812930 | ZINC |
32015 | ChEBI |
2201 | DrugCentral |
PIRETANIDE | rxnorm |
50240046 | BindingDB |
DTXSID2023488 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |