Dataset
![molecular Image]()
Debrisoquin
Chemical Info
| InChI | InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12) |
|---|---|
| SMILES | NC(=N)N(C1)Cc(c2)c(ccc2)C1 |
| InChI Key | JWPGJSVJDAJRLW-UHFFFAOYSA-N |
| Molecular Formula | C10H13N3 |
| Exact Mass | 175.111 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-WA002299 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:49:29.824794 |
| MetadataModified | 2025-02-09T20:21:40.831833 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB04840 | DrugBank |
| CHEMBL169901 | ChEMBL |
| C13650 | KEGG Ligand |
| 34665 | ChEBI |
| DEBRISOQUIN | rxnorm |
| DEBRISOQUINE SULFATE | rxnorm |
| DEBRISOQUINE | clinicaltrials |
| DEBRISOQUIN | clinicaltrials |
| 50122613 | BindingDB |
| DTXSID7022885 | EPA CompTox Dashboard |
| 788 | DrugCentral |
| J7.269I | Nikkaji |
| LSM-43253 | LINCS |
| 2966 | PubChem |
| 60020963 | NMRShiftDB |
| PD009366 | ProbesDrugs |
| X31CDK040E | FDA SRS |
| 14968163 | PubChem: Thomson Pharma |
| SCHEMBL309184 | SureChEMBL |
| PA452616 | PharmGKB |
| 1131-64-2 | ACToR |
| 1835121 | eMolecules |
| MTBLC34665 | Metabolights |
| ZINC000003594299 | ZINC |
| 108848 | Brenda |
| HMDB0006543 | Human Metabolome Database |
| MCULE-1553857299 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |