Dataset
![molecular Image]()
Allopurinol
Chemical Info
| InChI | InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) |
|---|---|
| SMILES | C1=NNC2=C1C(=O)NC=N2 |
| InChI Key | OFCNXPDARWKPPY-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4O |
| Exact Mass | 136.039 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-Fiocruz-FIO00456 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T16:41:53.199836 |
| MetadataModified | 2024-01-11T16:41:53.404899 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1467 | ChEMBL |
| SAM002554884 | NIH Clinical Collection |
| DB00437 | DrugBank |
| 22395219 | PubChem: Drugs of the Future |
| 534646 | eMolecules |
| 1971755 | eMolecules |
| 32278112 | eMolecules |
| 832881 | eMolecules |
| 15146664 | PubChem: Thomson Pharma |
| PD002486 | ProbesDrugs |
| allopurinol | Atlas |
| 63CZ7GJN5I | FDA SRS |
| LSM-5919 | LINCS |
| 15119988 | PubChem: Thomson Pharma |
| 180749-08-0 | ACToR |
| SCHEMBL4627 | SureChEMBL |
| PA448320 | PharmGKB |
| Allopurinol(Zyloprim) | Selleck |
| 184856-42-6 | ACToR |
| ALOPUR | CCDC |
| MCULE-5186178136 | Mcule |
| 40279 | ChEBI |
| 6795 | Guide to Pharmacology |
| 20025947 | NMRShiftDB |
| J2.034F | Nikkaji |
| DTXSID4022573 | EPA CompTox Dashboard |
| CB31081805 | ChemicalBook |
| 124 | DrugCentral |
| ZINC000013298313 | ZINC |
| 35440 | BindingDB |
| ALLOPURINOL | DailyMed |
| ALOPRIM | rxnorm |
| ALLOPURINOL | rxnorm |
| ALLOPURINOL SODIUM | rxnorm |
| ZYLOPRIM | rxnorm |
| ALLOPURINOL | clinicaltrials |
| ALLOPURINOL SODIUM | clinicaltrials |
| LOPURIN | clinicaltrials |
| ZYLOPRIM | clinicaltrials |
| HY-B0219 | MedChemExpress |
| 181133 | BindingDB |
| 50140241 | BindingDB |
| CB1181254 | ChemicalBook |
| allopurinol | DailyMed |
| 135401907 | PubChem |
| CB3587524 | ChemicalBook |
| 27677536 | eMolecules |
| 194408 | Brenda |
| 154362 | Brenda |
| 153379 | Brenda |
| 4335 | Brenda |
| HMDB0014581 | Human Metabolome Database |
| 801 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |