Dataset
![molecular Image]()
Xipamide
Chemical Info
| InChI | InChI=1S/C15H15ClN2O4S/c1-8-4-3-5-9(2)14(8)18-15(20)10-6-13(23(17,21)22)11(16)7-12(10)19/h3-7,19H,1-2H3,(H,18,20)(H2,17,21,22) |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C2=CC(=C(C=C2O)Cl)S(=O)(=O)N |
| InChI Key | MTZBBNMLMNBNJL-UHFFFAOYSA-N |
| Molecular Formula | C15H15ClN2O4S |
| Exact Mass | 354.044 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ501355 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T14:31:30.126326 |
| MetadataModified | 2025-02-09T10:09:56.366646 |
| MetadataPublished | 2021-03-16 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL517199 | ChEMBL |
| J8.494H | Nikkaji |
| ZINC000000538538 | ZINC |
| 135499 | ChEBI |
| 2853 | DrugCentral |
| DTXSID5023744 | EPA CompTox Dashboard |
| 7900 | Guide to Pharmacology |
| HY-W042301 | MedChemExpress |
| XIPAMIDE | rxnorm |
| HMDB0259933 | Human Metabolome Database |
| DB13803 | DrugBank |
| CB7875012 | ChemicalBook |
| 26618 | PubChem |
| PD014677 | ProbesDrugs |
| 4S9EY0NUEC | FDA SRS |
| 14803127 | PubChem: Thomson Pharma |
| 135274-05-4 | ACToR |
| SCHEMBL43532 | SureChEMBL |
| 14293-44-8 | ACToR |
| 36759662 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |