Dataset
![molecular Image]()
Amoxapine
Chemical Info
| InChI | InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2 |
|---|---|
| SMILES | Clc(c4)cc(c(c4)2)C(=Nc(c3)c(ccc3)O2)N(C1)CCNC1 |
| InChI Key | QWGDMFLQWFTERH-UHFFFAOYSA-N |
| Molecular Formula | C17H16ClN3O |
| Exact Mass | 313.098 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-WA002130 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:46:36.235632 |
| MetadataModified | 2024-01-11T22:46:36.396096 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| MCULE-9583761109 | Mcule |
| 2170 | PubChem |
| R63VQ857OT | FDA SRS |
| 14950373 | PubChem: Thomson Pharma |
| SCHEMBL33950 | SureChEMBL |
| PD000076 | ProbesDrugs |
| 14028-44-5 | ACToR |
| LSM-2021 | LINCS |
| PA448405 | PharmGKB |
| CB5375947 | ChemicalBook |
| amoxapine | DailyMed |
| HMDB0014683 | Human Metabolome Database |
| 533809 | eMolecules |
| DB00543 | DrugBank |
| 12013426 | PubChem: Drugs of the Future |
| CHEMBL1113 | ChEMBL |
| 2675 | ChEBI |
| SAM002564189 | NIH Clinical Collection |
| 201 | Guide to Pharmacology |
| 22870 | BindingDB |
| J3.129A | Nikkaji |
| AMOXAPINE | rxnorm |
| AMOXAPINE | DailyMed |
| AMOXAPINE | clinicaltrials |
| ASENDIN | clinicaltrials |
| AMOXAP | CCDC |
| HY-B0991 | MedChemExpress |
| DTXSID7022598 | EPA CompTox Dashboard |
| 191 | DrugCentral |
| ZINC000000000931 | ZINC |
| The data in this table is sourced from UniChem at EBI. | |