Dataset
![molecular Image]()
Propranolol
Chemical Info
| InChI | InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3 |
|---|---|
| SMILES | CC(C)NCC(O)COc(c1)c(c2)c(ccc2)cc1 |
| InChI Key | AQHHHDLHHXJYJD-UHFFFAOYSA-N |
| Molecular Formula | C16H21NO2 |
| Exact Mass | 259.157 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-Waters-WA001110 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:46:19.752121 |
| MetadataModified | 2024-01-11T22:46:19.921080 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00571 | DrugBank |
| C07407 | KEGG Ligand |
| CHEMBL27 | ChEMBL |
| 8499 | ChEBI |
| 564 | Guide to Pharmacology |
| 735071 | eMolecules |
| MCULE-7804628650 | Mcule |
| J6.653B | Nikkaji |
| 4946 | PubChem |
| 14823711 | PubChem: Thomson Pharma |
| 60025561 | NMRShiftDB |
| PD009912 | ProbesDrugs |
| PA451145 | PharmGKB |
| 13013-17-7 | ACToR |
| 525-66-6 | ACToR |
| SCHEMBL3955 | SureChEMBL |
| LSM-4329 | LINCS |
| ANAPRILIN | clinicaltrials |
| DERALIN | clinicaltrials |
| INDERAL | clinicaltrials |
| INDERALICI | clinicaltrials |
| AVLOCARDYL | clinicaltrials |
| PROPRANOLOL | clinicaltrials |
| PROPRANOLOL HYDROCHLORIDE | clinicaltrials |
| DOCITON | clinicaltrials |
| BEDRANOL | clinicaltrials |
| SUMIAL | clinicaltrials |
| OBSIDAN | clinicaltrials |
| HEMANGEOL | clinicaltrials |
| HEMANGIOL | clinicaltrials |
| HY-B0573B | MedChemExpress |
| 9Y8NXQ24VQ | FDA SRS |
| DTXSID6023525 | EPA CompTox Dashboard |
| 2303 | DrugCentral |
| 25761 | BindingDB |
| CB63039539 | ChemicalBook |
| PROPRANOLOL | DailyMed |
| PROPRANOLOL HYDROCHLORIDE | rxnorm |
| PROPRANOLOL | rxnorm |
| INDERAL | rxnorm |
| HEMANGEOL | rxnorm |
| INNOPRAN | rxnorm |
| INNOPRAN | clinicaltrials |
| CB0875381 | ChemicalBook |
| MTBLC8499 | Metabolights |
| 66047 | Brenda |
| 45500 | Brenda |
| propranolol | DailyMed |
| 5606 | Brenda |
| HMDB0001849 | Human Metabolome Database |
| 3905 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |