Dataset
![molecular Image]()
Sulpiride
Chemical Info
| InChI | InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) |
|---|---|
| SMILES | CCN(C2)C(CC2)CNC(=O)c(c(OC)1)cc(cc1)S(N)(=O)=O |
| InChI Key | BGRJTUBHPOOWDU-UHFFFAOYSA-N |
| Molecular Formula | C15H23N3O4S |
| Exact Mass | 341.141 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-WA002020 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:50:37.232994 |
| MetadataModified | 2024-01-11T22:50:37.411029 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB00391 | DrugBank |
| CHEMBL26 | ChEMBL |
| 594468 | eMolecules |
| 2537 | DrugCentral |
| DTXSID1042574 | EPA CompTox Dashboard |
| SULPIRIDE | rxnorm |
| ABILIT | clinicaltrials |
| GUASTIL | clinicaltrials |
| DOGMATIL | clinicaltrials |
| DOLMATIL | clinicaltrials |
| NEOGAMA | clinicaltrials |
| MERESA | clinicaltrials |
| AIGLONYL | clinicaltrials |
| SULPIRIDE | clinicaltrials |
| SULPITIL | clinicaltrials |
| SULPOR | clinicaltrials |
| HY-B1019 | MedChemExpress |
| 7MNE9M8287 | FDA SRS |
| 11638 | BindingDB |
| 3567 | Brenda |
| 75628 | Brenda |
| 20037386 | NMRShiftDB |
| HMDB0014535 | Human Metabolome Database |
| CB4141314 | ChemicalBook |
| J3.446K | Nikkaji |
| MCULE-7506797476 | Mcule |
| SCHEMBL8421 | SureChEMBL |
| 5501 | Guide to Pharmacology |
| PYMSBZ | CCDC |
| 5355 | PubChem |
| 14802423 | PubChem: Thomson Pharma |
| PD001493 | ProbesDrugs |
| sulpiride | Atlas |
| PA164745485 | PharmGKB |
| LSM-5080 | LINCS |
| 15676-16-1 | ACToR |
| 32168 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |