Dataset
Veralipride; LC-ESI-Q; MS; POS; 90 V
Chemical Information
| InChI | InChI=1S/C17H25N3O5S/c1-4-7-20-8-5-6-12(20)11-19-17(21)14-9-13(26(18,22)23)10-15(24-2)16(14)25-3/h4,9-10,12H,1,5-8,11H2,2-3H3,(H,19,21)(H2,18,22,23) |
|---|---|
| SMILES | C=CCN(C2)C(CC2)CNC(=O)c(c1)c(OC)c(OC)cc1S(N)(=O)=O |
| InChI Key | RYJXBGGBZJGVQF-UHFFFAOYSA-N |
| Molecular Formula | C17H25N3O5S |
| Exact Mass | 383.151 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-WA002443 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataPublished | 2016-01-19 |
| Related Molecule |
|
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| DB13523 | drugbank |
| CHEBI:135600 | chebi |
| CHEMBL2105581 | chembl |
| 237519 | surechembl |
| 47979 | pubchem |
| S7064109UD | fdasrs |
| PD014503 | probes_and_drugs |
| HMDB0259780 | hmdb |
| 32682196 | surechembl |
| DTXSID6046268 | comptox |
| Molport-003-812-473 | molport |
| 2814 | drugcentral |
| The data in this table is sourced from UniChem at EBI. | |