Dataset
![molecular Image]()
Paracetamol
Chemical Info
| InChI | InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10) |
|---|---|
| SMILES | CC(=O)NC1=CC=C(C=C1)O |
| InChI Key | RZVAJINKPMORJF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
| Exact Mass | 151.063 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UoB-XB000500 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:09:39.956651 |
| MetadataModified | 2025-02-09T19:56:06.163207 |
| MetadataPublished | 2022-11-08 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 1983 | PubChem |
| 15321628 | PubChem: Thomson Pharma |
| 257546 | Brenda |
| PD002492 | ProbesDrugs |
| paracetamol | Atlas |
| 362O9ITL9D | FDA SRS |
| LSM-5533 | LINCS |
| 103-90-2 | ACToR |
| PA448015 | PharmGKB |
| acetaminophen | Atlas |
| 27677450 | eMolecules |
| 474380 | eMolecules |
| 69698 | Brenda |
| 143804 | Brenda |
| 7459 | Brenda |
| 2541 | Brenda |
| 111336 | Brenda |
| 111608 | Brenda |
| 111868 | Brenda |
| 114965 | Brenda |
| SCHEMBL19474893 | SureChEMBL |
| HMDB0001859 | Human Metabolome Database |
| 84044 | Brenda |
| acetaminophen | DailyMed |
| CB1413658 | ChemicalBook |
| ZINC000013550868 | ZINC |
| MTBLC46195 | Metabolights |
| 19996 | Brenda |
| 89614 | NMRShiftDB |
| SCHEMBL3480 | SureChEMBL |
| 46195 | ChEBI |
| MCULE-3844920617 | Mcule |
| CHEMBL112 | ChEMBL |
| 24714721 | PubChem: Drugs of the Future |
| TYL | PDBe |
| C06804 | KEGG Ligand |
| DB00316 | DrugBank |
| ACEPHEN | clinicaltrials |
| DAFALGAN | clinicaltrials |
| PARACETAMOL | clinicaltrials |
| OFIRMEV | clinicaltrials |
| EFFERALGAN | clinicaltrials |
| HY-66005 | MedChemExpress |
| DTXSID2020006 | EPA CompTox Dashboard |
| 52 | DrugCentral |
| ACETAMINOPHEN | DailyMed |
| PERFALGAN | clinicaltrials |
| ACETAMINOPHEN | clinicaltrials |
| TYLENOL | clinicaltrials |
| NEOPAP | clinicaltrials |
| PANADOL | clinicaltrials |
| OFIRMEV | rxnorm |
| PANADOL | rxnorm |
| ACEPHEN | rxnorm |
| ACETAMINOPHEN | rxnorm |
| TYLENOL | rxnorm |
| 5239 | Guide to Pharmacology |
| CB24796965 | ChemicalBook |
| 26197 | BindingDB |
| COTZAN | CCDC |
| J4.025H | Nikkaji |
| CB61261439 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |