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Merck
CN

SML3388

Vortioxetine hydrobromide

≥98% (HPLC), 5-HT-1D/3A/7 antagonist, powder

Synonym(s):

1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine hydrobromide, Lu AA21004 HBr, Lu AA21004 hydrobromide, Vortioxetine HBr

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About This Item

Empirical Formula (Hill Notation):
C18H22N2S·HBr
CAS Number:
960203-27-4
Molecular Weight:
379.36
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD22383961

Key Documents

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Product Name

Vortioxetine hydrobromide, ≥98% (HPLC)

SMILES string

S(c2c(cccc2)N3CC[N+H2]CC3)c1c(cc(cc1)C)C.[Br-]

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

InChI key

VNGRUFUIHGGOOM-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Quality Level

100

Related Categories

Biochem/physiol Actions

Orally active, multimodal serotonergic compound with in vivo psychotropic efficacy by targeting 5-HT-1A/1B/1D/3A/7 and SERT.
Vortioxetine (Lu AA21004) is an orally active, multimodal serotonergic compound with high affinity toward human 5-HT1A (Ki = 15 nM), 5-HT1B (Ki = 33 nM), 5-HT1D (Ki = 54 nM), 5-HT3A (Ki = 3.7 nM), 5-HT7 (Ki = 19 nM), noradrenergic β1 (Ki = 46 nM) receptors, and serotonin (5-HT) transporter (SERT Ki = 1.6 nM). Vortioxetine exhibits in vivo psychotropic efficacy by exerting antagonist activity against 5-HT-1D/3A/7, agonist activity on 5-HT1A, partial agonist activity on 5-HT1B, as well as potent SERT inhibitory activity.

pictograms

Health hazardEnvironment
GHS08,GHS09

signalword

Warning

Hazard Classifications

Aquatic Acute 1 - Aquatic Chronic 1 - Repr. 2 - STOT RE 2

target_organs

Kidney

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000500003
0000500003
0000469615
0000469615
0000353910

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Ashley Wallace et al.
The international journal of neuropsychopharmacology, 17(10), 1695-1706 (2014-05-24)
Current treatments for depression, including serotonin-specific reuptake inhibitors (SSRIs), are only partially effective, with a high incidence of residual symptoms, relapse, and treatment resistance. Loss of cognitive flexibility, a component of depression, is associated with dysregulation of the prefrontal cortex.

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