Vortioxetine
An N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. — ChEBI
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Identity & molecular properties
Source-linked values| CAS number | 508233-74-7 | ChEBI ↗ |
| Molecular formula | C18H22N2S | ChEBI ↗ |
| Molar mass | 298.455 g/mol | ChEBI ↗ |
| Monoisotopic mass | 298.15037 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:76016 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 298.4 g/mol | PubChem ↗ |
| Exact mass | 298.15036988 Da | PubChem ↗ |
| Computed XLogP | 4.2 | PubChem ↗ |
| Topological polar surface area (Ų) | 40.6 | PubChem ↗ |
| H-bond donors | 1 | PubChem ↗ |
| H-bond acceptors | 3 | PubChem ↗ |
| Rotatable bonds | 3 | PubChem ↗ |
PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.
Names & structural identifiers
Copy any identifiervortioxetine1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazineYQNWZWMKLDQSAC-UHFFFAOYSA-NCc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3Names & synonyms
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.
Mass ↔ amount of substance
Calculated from sourced massUses 298.455 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCSNHCalculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.
Research & patent references
Selected source associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.