Vortioxetine hydrobromideProduct ingredient for Vortioxetine
- Name
- Vortioxetine hydrobromide
- Drug Entry
- Vortioxetine
Vortioxetine is an antidepressant medication indicated for the treatment of major depressive disorder (MDD). It is classified as a serotonin modulator and stimulator (SMS) as it has a multimodal mechanism of action towards the serotonin neurotransmitter system whereby it simultaneously modulates one or more serotonin receptors and inhibits the reuptake of serotonin. More specifically, vortioxetine acts via the following biological mechanisms: as a serotonin reuptake inhibitor (SRI) through inhibition of the serotonin transporter, as a partial agonist of the 5-HT1B receptor, an agonist of 5-HT1A, and an antagonist of the 5-HT3, 5-HT1D, and 5-HT7 receptors. SMSs were developed because there are many different subtypes of serotonin receptors, however, not all of these receptors appear to be involved in the antidepressant effects of SRIs. Some serotonin receptors seem to play a relatively neutral or insignificant role in the regulation of mood, but others, such as 5-HT1A autoreceptors and 5-HT7 receptors, appear to play an oppositional role in the efficacy of SRIs in treating depression.
- Accession Number
- DBSALT001117
- Structure
Structure for Vortioxetine hydrobromide (DBSALT001117)
- Synonyms
- Vortioxetine hydrobromide
- UNII
- TKS641KOAY
- CAS Number
- 960203-27-4
- Weight
- Average: 379.36
Monoisotopic: 378.076533 - Chemical Formula
- C18H23BrN2S
- InChI Key
- VNGRUFUIHGGOOM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H22N2S.BrH/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,9-12H2,1-2H3;1H
- IUPAC Name
- 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine hydrobromide
- SMILES
- Br.CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1
- External Links
- ChemSpider
- 28528540
- ChEBI
- 76015
- ChEMBL
- CHEMBL2107387
- Wikipedia
- Vortioxetine
- Predicted Properties
Property Value Source Water Solubility 0.00362 mg/mL ALOGPS logP 4.51 ALOGPS logP 4.76 Chemaxon logS -4.9 ALOGPS pKa (Strongest Basic) 8.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 15.27 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 94.01 m3·mol-1 Chemaxon Polarizability 34.58 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon