Dataset
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-FIO00458 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:34:47.902419 |
MetadataModified | 2024-01-11T16:34:48.094136 |
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 |
ALLOPURINOL | DailyMed |
35440 | BindingDB |
ZYLOPRIM | rxnorm |
ALLOPURINOL | rxnorm |
ALLOPURINOL SODIUM | rxnorm |
ALLOPURINOL | clinicaltrials |
ALLOPURINOL SODIUM | clinicaltrials |
LOPURIN | clinicaltrials |
ZYLOPRIM | clinicaltrials |
CB31081805 | ChemicalBook |
HY-B0219 | MedChemExpress |
DTXSID4022573 | EPA CompTox Dashboard |
181133 | BindingDB |
124 | DrugCentral |
6795 | Guide to Pharmacology |
J2.034F | Nikkaji |
ALOPUR | CCDC |
ALOPRIM | rxnorm |
40279 | ChEBI |
20025947 | NMRShiftDB |
MCULE-5186178136 | Mcule |
534646 | eMolecules |
1971755 | eMolecules |
32278112 | eMolecules |
832881 | eMolecules |
15146664 | PubChem: Thomson Pharma |
15119988 | PubChem: Thomson Pharma |
Allopurinol(Zyloprim) | Selleck |
PA448320 | PharmGKB |
SCHEMBL4627 | SureChEMBL |
180749-08-0 | ACToR |
184856-42-6 | ACToR |
LSM-5919 | LINCS |
63CZ7GJN5I | FDA SRS |
allopurinol | Atlas |
PD002486 | ProbesDrugs |
CB1181254 | ChemicalBook |
allopurinol | DailyMed |
135401907 | PubChem |
CB3587524 | ChemicalBook |
27677536 | eMolecules |
154362 | Brenda |
ZINC000013298313 | ZINC |
4335 | Brenda |
153379 | Brenda |
194408 | Brenda |
801 | Brenda |
HMDB0014581 | Human Metabolome Database |
50140241 | BindingDB |
The data in this table is sourced from UniChem at EBI. |