Dataset
![molecular Image]()
Omeprazole
Chemical Info
| InChI | InChI=1S/C17H19N3O3S/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20) |
|---|---|
| SMILES | Cc1cnc(c(c1OC)C)CS(=O)c2[nH]c3ccc(cc3n2)OC |
| InChI Key | SUBDBMMJDZJVOS-UHFFFAOYSA-N |
| Molecular Formula | C17H19N3O3S |
| Exact Mass | 345.115 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU111305 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:42:18.315056 |
| MetadataModified | 2024-01-11T09:42:18.471796 |
| MetadataPublished | 2015-09-22 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00338 | DrugBank |
| 12013167 | PubChem: Drugs of the Future |
| CHEMBL1503 | ChEMBL |
| SAM001246900 | NIH Clinical Collection |
| C07324 | KEGG Ligand |
| 592969 | eMolecules |
| 4363767 | eMolecules |
| DTXSID6021080 | EPA CompTox Dashboard |
| 91766 | ChEBI |
| 50241343 | BindingDB |
| OMEPRAZOLE | DailyMed |
| PRILOSEC | rxnorm |
| OMEPRAZOLE | rxnorm |
| OMEPRAZOLE SODIUM | rxnorm |
| OMEPRAZOLE MAGNESIUM | rxnorm |
| LOSEC | clinicaltrials |
| PRILOSEC | clinicaltrials |
| PRILOSEC OTC | clinicaltrials |
| HY-B0113 | MedChemExpress |
| OMEPRAZOLE | clinicaltrials |
| OMEPRAZOLE MAGNESIUM | clinicaltrials |
| OMEPRAZOLE SODIUM | clinicaltrials |
| KG60484QX9 | FDA SRS |
| 1990 | DrugCentral |
| CB8160492 | ChemicalBook |
| HMDB0001913 | Human Metabolome Database |
| PA10075 | PharmGKB |
| 2976 | Brenda |
| omeprazole | DailyMed |
| 14574 | Brenda |
| CB6740618 | ChemicalBook |
| CB5160491 | ChemicalBook |
| 4594 | PubChem |
| PD000331 | ProbesDrugs |
| omeprazole | Atlas |
| LSM-1651 | LINCS |
| SCHEMBL1191 | SureChEMBL |
| omeprazole | Recon |
| 14875946 | PubChem: Thomson Pharma |
| 73590-58-6 | ACToR |
| 119141-89-8 | ACToR |
| PA450704 | PharmGKB |
| Omeprazole | Selleck |
| 14753960 | PubChem: Thomson Pharma |
| 131959-78-9 | ACToR |
| 4279 | Guide to Pharmacology |
| J33.884B | Nikkaji |
| UDAVIF | CCDC |
| 10018799 | NMRShiftDB |
| 20032654 | NMRShiftDB |
| 77260 | ChEBI |
| MCULE-3224208952 | Mcule |
| The data in this table is sourced from UniChem at EBI. | |