Dataset
Ibuprofen.dept
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.d186 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D186 |
Version | |
Author | |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:31:00.617720 |
MetadataModified | 2024-09-23T09:34:15.464103 |
MetadataPublished | 2022-10-28 13:22:44 |
Field | Value |
---|---|
Measurement Technique | distortionless enhancement with polarization transfer |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
---|---|
5855 | ChEBI |
SAM002264619 | NIH Clinical Collection |
C01588 | KEGG Ligand |
125299288 | PubChem: Drugs of the Future |
DB01050 | DrugBank |
2713 | Guide to Pharmacology |
CHEMBL521 | ChEMBL |
IBUPROFEN | DailyMed |
50009859 | BindingDB |
MOTRIN | rxnorm |
IBUPROFEN | rxnorm |
IBUPROHM | rxnorm |
CALDOLOR | rxnorm |
ADVIL | rxnorm |
SAREN | clinicaltrials |
ADVIL | clinicaltrials |
RUFEN | clinicaltrials |
PEDEA | clinicaltrials |
MIDOL | clinicaltrials |
SOLUFENUM | clinicaltrials |
PROFEN | clinicaltrials |
DOLORMIN | clinicaltrials |
ARFEN | clinicaltrials |
NEOPROFEN | clinicaltrials |
CALDOLOR | clinicaltrials |
CAP-PROFEN | 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 |
NUPRIN | clinicaltrials |
HY-78131 | MedChemExpress |
WK2XYI10QM | FDA SRS |
DTXSID5020732 | EPA CompTox Dashboard |
1407 | DrugCentral |
SCHEMBL3001 | SureChEMBL |
J3.134H | Nikkaji |
IBPRAC | CCDC |
IBUPROFEN LYSINE | rxnorm |
139466-08-3 | ACToR |
PD002295 | ProbesDrugs |
15687-27-1 | ACToR |
Ibuprofen(Advil) | Selleck |
PA449957 | PharmGKB |
SPEDIFEN | clinicaltrials |
LSM-1354 | LINCS |
IBUPROFEN ARGINATE | clinicaltrials |
IBUPROFEN ARGININE | clinicaltrials |
IBUPROFEN L-LYSINE | clinicaltrials |
ibuprofen | Atlas |
14822381 | PubChem: Thomson Pharma |
ibuprofen | DailyMed |
CB92675917 | ChemicalBook |
CB3699656 | ChemicalBook |
29348 | Brenda |
CB4336930 | ChemicalBook |
HMDB0001925 | Human Metabolome Database |
1645 | Brenda |
111728 | Brenda |
37328 | Brenda |
20200142 | NMRShiftDB |
MCULE-9475454445 | Mcule |
3672 | PubChem |
539665 | eMolecules |
The data in this table is sourced from UniChem at EBI. |