Dataset
![molecular Image]()
Ibuprofen.1d
Chemical Info
| InChI | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
|---|---|
| SMILES | CC(C)CC1=CC=C(C(C)C(=O)O)C=C1 |
| InChI Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.280 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.57992/nmrxiv.p9.s51.d190 |
| License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
| Source | https://nmrxiv.org/D190 |
| Version | |
| Author | |
| Maintainer | |
| Language | english |
| MetadataCreated | 2024-04-22T16:32:25.466045 |
| MetadataModified | 2024-09-23T09:34:24.417495 |
| MetadataPublished | 2022-10-28 13:22:44 |
| Field | Value |
|---|---|
| Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
| Measurement Variables |
|
| Data-Source Molecule ID | Data-Source |
|---|---|
| 5855 | ChEBI |
| SAM002264619 | NIH Clinical Collection |
| 2713 | Guide to Pharmacology |
| 125299288 | PubChem: Drugs of the Future |
| DB01050 | DrugBank |
| C01588 | KEGG Ligand |
| CHEMBL521 | ChEMBL |
| 539665 | eMolecules |
| 3672 | PubChem |
| 14822381 | PubChem: Thomson Pharma |
| Ibuprofen(Advil) | Selleck |
| PA449957 | PharmGKB |
| 15687-27-1 | ACToR |
| 139466-08-3 | ACToR |
| LSM-1354 | LINCS |
| ibuprofen | Atlas |
| SPEDIFEN | clinicaltrials |
| IBUPROFEN L-LYSINE | clinicaltrials |
| IBUPROFEN ARGININE | clinicaltrials |
| IBUPROFEN ARGINATE | clinicaltrials |
| PD002295 | ProbesDrugs |
| MCULE-9475454445 | Mcule |
| J3.134H | Nikkaji |
| SCHEMBL3001 | SureChEMBL |
| 20200142 | NMRShiftDB |
| IBPRAC | CCDC |
| CALDOLOR | clinicaltrials |
| NEOPROFEN | clinicaltrials |
| BURANA | clinicaltrials |
| MOTRIN | clinicaltrials |
| IBUPROFEN LYSINE | clinicaltrials |
| IBUPROFEN SODIUM | clinicaltrials |
| IBUPROHM | clinicaltrials |
| TAB-PROFEN | clinicaltrials |
| IBU-TAB | clinicaltrials |
| IBUPRIN | clinicaltrials |
| IBUPROFEN | clinicaltrials |
| IBUPROFEN LYSINATE | clinicaltrials |
| M01AE01 | clinicaltrials |
| HY-78131 | MedChemExpress |
| WK2XYI10QM | FDA SRS |
| DTXSID5020732 | EPA CompTox Dashboard |
| 1407 | DrugCentral |
| 50009859 | BindingDB |
| IBUPROFEN | DailyMed |
| IBUPROFEN LYSINE | rxnorm |
| MOTRIN | rxnorm |
| IBUPROFEN | rxnorm |
| IBUPROHM | rxnorm |
| ADVIL | rxnorm |
| CALDOLOR | rxnorm |
| SAREN | clinicaltrials |
| ADVIL | clinicaltrials |
| RUFEN | clinicaltrials |
| PEDEA | clinicaltrials |
| MIDOL | clinicaltrials |
| NUPRIN | clinicaltrials |
| SOLUFENUM | clinicaltrials |
| PROFEN | clinicaltrials |
| DOLORMIN | clinicaltrials |
| ARFEN | clinicaltrials |
| CAP-PROFEN | clinicaltrials |
| ibuprofen | DailyMed |
| CB4336930 | ChemicalBook |
| HMDB0001925 | Human Metabolome Database |
| 37328 | Brenda |
| 111728 | Brenda |
| 29348 | Brenda |
| 1645 | Brenda |
| CB3699656 | ChemicalBook |
| CB92675917 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |