Dataset
![molecular Image]()
Alprazolam
Chemical Info
| InChI | InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3 |
|---|---|
| SMILES | Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c(C)2)c(nn2)CN1 |
| InChI Key | VREFGVBLTWBCJP-UHFFFAOYSA-N |
| Molecular Formula | C17H13ClN4 |
| Exact Mass | 308.083 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-WA000902 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:36:37.186169 |
| MetadataModified | 2025-02-09T20:27:27.776936 |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 524672 | eMolecules |
| 28981-97-7 | ACToR |
| 14800856 | PubChem: Thomson Pharma |
| LSM-5460 | LINCS |
| 2118 | PubChem |
| 08H | PDBe |
| PD003153 | ProbesDrugs |
| YU55MQ3IZY | FDA SRS |
| HMDB0014548 | Human Metabolome Database |
| 88187 | Brenda |
| alprazolam | DailyMed |
| SCHEMBL8398 | SureChEMBL |
| MCULE-1215564244 | Mcule |
| CHEMBL661 | ChEMBL |
| DB00404 | DrugBank |
| 2611 | ChEBI |
| C06817 | KEGG Ligand |
| SAM001246696 | NIH Clinical Collection |
| 12013413 | PubChem: Drugs of the Future |
| ALPRAZOLAM | DailyMed |
| ALPRAZOLAM | rxnorm |
| ALPRAZOLAM | clinicaltrials |
| XANAX | clinicaltrials |
| NIRAVAM | clinicaltrials |
| XANAX | rxnorm |
| CB14845167 | ChemicalBook |
| 50001728 | BindingDB |
| MENMIB | CCDC |
| J9.279G | Nikkaji |
| 7111 | Guide to Pharmacology |
| ZINC000000000903 | ZINC |
| 136 | DrugCentral |
| DTXSID4022577 | EPA CompTox Dashboard |
| PA448333 | PharmGKB |
| CB23607305 | ChemicalBook |
| The data in this table is sourced from UniChem at EBI. | |