Vortioxetine hydrobromide

Molecular Mass: 379.4 g/mol

Formula: C₁₈H₂₃BrN₂S

Smiles: Br.Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1

Synonymes:

Vortioxetine hydrobromide, 960203-27-4, Trintellix, Lu AA 21004 hydrobromide, Lu aa21004 hbr, TKS641KOAY, Lu-aa21004 hydrobromide, LU-AA21004 HBR, CHEBI:76015, DTXSID501027850, 1-(2-((2,4-Dimethylphenyl)sulfanyl)phenyl)piperazine monohydrobromide, Piperazine, 1-(2-((2,4-dimethylphenyl)thio)phenyl)-, hydrobromide (1:1), 1-{2-[(2,4-Dimethylphenyl)sulfanyl]phenyl}piperazine monohydrobromide, Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-, hydrobromide (1:1), RefChem:57758, DTXCID701513427, Vortioxetine HBr, Brintellix, Vortioxetine (Lu AA21004) HBr, Vortioxetine (hydrobromide), 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine hydrobromide, UNII-TKS641KOAY, Vortioxetine hydrobromide [USAN], Voltiocetin hydrobromide, Lu AA21004 (HBr), Vortioxetine.HBr, Brintellix (TN), 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine, hydrobromide, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]piperazine hydrobromide, Vortioxetine Hydrobromide (1.0 mg/mL in Methanol), C18H23BrN2S, 960203-27-4 (HBr), Trintellix (TN), Piperazine, 1-[2-[(2,4-dimethylphenyl)thio]phenyl]-, hydrobromide (1:1), 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]piperazine hydrobromide, 1-[2-(2,4-Dimethylphenylsulfanyl)phenyl]piperazine hydrobromide, Lu AA 21004 hydrobromide, Vortioxetine hydrobromide, MFCD22383961, Vortioxetine hydrobromide?, Vortioxetine Hydrobromide, vortioxetine monohydrobromide, SCHEMBL237653, orb1305547, CHEMBL2107387, SCHEMBL29393393, Lu-AA-21004, VNGRUFUIHGGOOM-UHFFFAOYSA-N, GLXC-90444, HMS5086E05, 1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine hydrobromide, EX-A2348, EBC-77124, HY-15414A, s8021, T2395L, Vortioxetine hydrobromide (JAN/USAN), AKOS016340374, CCG-268394, CS-1472, HG-0011, SB16507, VORTIOXETINE HYDROBROMIDE [JAN], AC-28325, DA-59045, FD157097, Vortioxetine (Lu AA21004) hydrobromide, VORTIOXETINE HYDROBROMIDE [WHO-DD], NS00040469, SW219360-1, D10185, VORTIOXETINE HYDROBROMIDE [ORANGE BOOK], Vortioxetine Hydrobromide (1 mg/mL in Methanol), F468400, Q27145682, Vortioxetine.HBr, 1mg/ml in Methanol (as free base), 1-[2-(2,4-dimethylphenylsulfanyl)phenyl]piperazine-hbr, 1-[2-[(2,4-Dimethylphenyl)thio]phenyl]-piperazine Hydrobromide, 1-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazine hydrobromide, 4-[2-(2,4-Dimethyl-phenylsulfanyl)-phenyl]-piperazine hydrobromide, 4-{2-[(2,4-dimethylphenyl)sulfanyl]phenyl}piperazin-1-ium bromide, Vortioxetine Hydrobromide Working Standard (Secondary Reference Standard)

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
1-Butanol	283.15	-	2.436	[230]
1-Butanol	288.15	-	3.129	[230]
1-Butanol	293.15	-	3.57	[230]
1-Butanol	298.15	-	4.989	[230]
1-Butanol	303.15	-	7.003	[230]
1-Butanol	308.15	-	8.266	[230]
1-Butanol	313.15	-	9.37	[230]
1-Butanol	318.15	-	11.01	[230]
1-Propanol	283.15	-	4.792	[230]
1-Propanol	288.15	-	5.154	[230]
1-Propanol	293.15	-	5.84	[230]
1-Propanol	298.15	-	6.687	[230]
1-Propanol	303.15	-	8.937	[230]
1-Propanol	308.15	-	10.71	[230]
1-Propanol	313.15	-	12.22	[230]
1-Propanol	318.15	-	14.62	[230]
Ethanol	283.15	-	8.122	[230]
Ethanol	288.15	-	9.022	[230]
Ethanol	293.15	-	9.794	[230]
Ethanol	298.15	-	10.52	[230]
Ethanol	303.15	-	12.86	[230]
Ethanol	308.15	-	17.22	[230]
Ethanol	313.15	-	18.96	[230]
Ethanol	318.15	-	21.64	[230]
Methyl ethyl ketone	283.15	-	0.266	[230]
Methyl ethyl ketone	288.15	-	0.3581	[230]
Methyl ethyl ketone	293.15	-	0.5762	[230]
Methyl ethyl ketone	298.15	-	0.686	[230]
Methyl ethyl ketone	303.15	-	0.8781	[230]
Methyl ethyl ketone	308.15	-	1.109	[230]
Methyl ethyl ketone	313.15	-	1.283	[230]
Methyl ethyl ketone	318.15	-	1.385	[230]

Molecule 3D descriptors

Descriptor	Value
PMI1	960.2625
PMI2	2977.5236
PMI3	3303.0379
NPR1	0.2907
NPR2	0.9015
RadiusOfGyration	3.0892
InertialShapeFactor	0.0009
Eccentricity	0.9568
Asphericity	0.3686
SpherocityIndex	0.2747
PBF	0.9797