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Chemical structure of Vortioxetine Hydrobromide

GC14437

Vortioxetine Hydrobromide

Also listed as Vortioxetine (Lu AA21004) HBr

Vortioxetine (Lu AA21004) HBr is a multimodal serotonergic agent, inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT with Ki values of 15 nM, 33 nM, 3·7 nM, 19 nM and 1·6 nM, respectively

ChemicalCAS960203-27-4MW379.36FormulaC18H22N2S·HBr
CAS number
960203-27-4
Molecular weight
379.36
Formula
C18H22N2S·HBr
Solubility
≥ 18·968mg/mL in DMSO
InChIKey
VNGRUFUIHGGOOM-UHFFFAOYSA-N
Catalogue number
GC14437
Brand
GLPBIO
Computed properties PubChem CID 56843850 · TPSA 40.6 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
40.6 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C.Br

Computed descriptors from PubChem (CID 56843850), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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