Dataset
![molecular Image]()
Molsidomine
Chemical Info
| InChI | InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3 |
|---|---|
| SMILES | CCOC([O-1])=Nc(o2)c[n+1](n2)N(C1)CCOC1 |
| InChI Key | XLFWDASMENKTKL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N4O4 |
| Exact Mass | 242.101 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-WA002975 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:48:27.546036 |
| MetadataModified | 2024-01-11T22:48:27.702007 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 4238 | PubChem |
| D46583G77X | FDA SRS |
| 25717-80-0 | ACToR |
| 31861 | ChEBI |
| PD001642 | ProbesDrugs |
| SCHEMBL34019 | SureChEMBL |
| 14749613 | PubChem: Thomson Pharma |
| 5360788 | PubChem |
| 5353788 | PubChem |
| 1934981 | eMolecules |
| HY-B1069 | MedChemExpress |
| DB09282 | DrugBank |
| MCULE-1835289527 | Mcule |
| 92623 | ChEBI |
| MOLSIDOMINE | clinicaltrials |
| KABZES | CCDC |
| HMDB0245703 | Human Metabolome Database |
| 39912 | BindingDB |
| MOLSIDOMINE | rxnorm |
| DTXSID0045171 | EPA CompTox Dashboard |
| CHEMBL1329455 | ChEMBL |
| 12013439 | PubChem: Drugs of the Future |
| The data in this table is sourced from UniChem at EBI. | |