Dataset
![molecular Image]()
Nalorphine
Chemical Info
| InChI | InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 |
|---|---|
| SMILES | C=CCN(C5)C(C3)C([H])(C=4)C(C5)(C(C(O)C4)1)c(c23)c(c(O)cc2)O1 |
| InChI Key | UIQMVEYFGZJHCZ-SSTWWWIQSA-N |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152 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-WA001513 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:47:07.377149 |
| MetadataModified | 2025-02-09T20:22:21.077759 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| ZINC000003875420 | ZINC |
| DB11490 | DrugBank |
| MTBLC7458 | Metabolights |
| 12624 | Brenda |
| 5284595 | PubChem |
| 60067794 | NMRShiftDB |
| PD014720 | ProbesDrugs |
| 14752213 | PubChem: Thomson Pharma |
| 62-67-9 | ACToR |
| SCHEMBL38920 | SureChEMBL |
| 97889-94-6 | ACToR |
| CHEMBL415284 | ChEMBL |
| C11787 | KEGG Ligand |
| 1629 | Guide to Pharmacology |
| DTXSID3023348 | EPA CompTox Dashboard |
| J4.825I | Nikkaji |
| 50367061 | BindingDB |
| 7458 | ChEBI |
| 1877 | DrugCentral |
| U59WB2WRY2 | FDA SRS |
| The data in this table is sourced from UniChem at EBI. | |