Dataset
Pyrimethamine
Chemical Info
InChI | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
---|---|
SMILES | CCc(n2)c(c(N)nc(N)2)c(c1)ccc(Cl)c1 |
InChI Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
Molecular Formula | C12H13ClN4 |
Exact Mass | 248.083 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-FIO00288 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:36:56.109923 |
MetadataModified | 2024-01-11T16:36:56.304214 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
pyrimethamine | DailyMed |
761 | Brenda |
13930 | Brenda |
HMDB0014350 | Human Metabolome Database |
CB8461315 | ChemicalBook |
4993 | PubChem |
SCHEMBL25129 | SureChEMBL |
PA451193 | PharmGKB |
58-14-0 | ACToR |
15221150 | PubChem: Thomson Pharma |
LSM-3967 | LINCS |
Z3614QOX8W | FDA SRS |
PD001771 | ProbesDrugs |
Pyrimethamine | Selleck |
511729 | eMolecules |
SAM002554921 | NIH Clinical Collection |
CHEMBL36 | ChEMBL |
8673 | ChEBI |
CP6 | PDBe |
C07391 | KEGG Ligand |
22395175 | PubChem: Drugs of the Future |
DB00205 | DrugBank |
4800 | Guide to Pharmacology |
J4.589F | Nikkaji |
MUFMAB | CCDC |
ZINC000000057464 | ZINC |
2332 | DrugCentral |
DTXSID9021217 | EPA CompTox Dashboard |
PYRIMETHAMINE | DailyMed |
239402 | Brenda |
HY-18062 | MedChemExpress |
PYRIMETHAMINE | clinicaltrials |
DARAPRIM | clinicaltrials |
PYRIMETHAMINE | rxnorm |
DARAPRIM | rxnorm |
18512 | BindingDB |
The data in this table is sourced from UniChem at EBI. |