Dataset
![molecular Image]()
Atropine
Chemical Info
| InChI | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16? |
|---|---|
| SMILES | OCC(C(=O)OC(C2)CC(C3)N(C)C(C3)2)c(c1)cccc1 |
| InChI Key | RKUNBYITZUJHSG-SPUOUPEWSA-N |
| Molecular Formula | C17H23NO3 |
| Exact Mass | 289.168 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-WA000925 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:46:45.762473 |
| MetadataModified | 2024-01-11T22:46:45.938349 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL517712 | ChEMBL |
| C01479 | KEGG Ligand |
| 16684 | ChEBI |
| DTXSID4020113 | EPA CompTox Dashboard |
| 260 | DrugCentral |
| ISOPTO ATROPINE | clinicaltrials |
| J1.385.555B | Nikkaji |
| J9.268A | Nikkaji |
| ATROPISOL | clinicaltrials |
| ATROPINE SULFATE | clinicaltrials |
| J82.086E | Nikkaji |
| ATROPINE | clinicaltrials |
| ATROPEN | clinicaltrials |
| 50403547 | BindingDB |
| ATROPINE SULFATE | rxnorm |
| ATROPINE | rxnorm |
| ISOPTO ATROPINE | rxnorm |
| ATROPEN | rxnorm |
| ATROPINE | DailyMed |
| 7C0697DR9I | FDA SRS |
| 320 | Guide to Pharmacology |
| HY-B1205 | MedChemExpress |
| 78734 | ChEBI |
| 70008206 | NMRShiftDB |
| PD009911 | ProbesDrugs |
| 16376693 | PubChem: Thomson Pharma |
| SCHEMBL2812 | SureChEMBL |
| ATROPINE SULFATE MONOHYDRATE | clinicaltrials |
| 478873 | eMolecules |
| DB00572 | DrugBank |
| atropine | DailyMed |
| MTBLC78734 | Metabolights |
| 4789 | Brenda |
| CB2163178 | ChemicalBook |
| MTBLC16684 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |