ChemicalBook--->CAS DataBase List--->1801352-86-2

1801352-86-2

1801352-86-2 Structure

1801352-86-2 Structure
IdentificationBack Directory
[Name]

Wortoxetine Impurity T: Acetyl Wortoxetine
[CAS]

1801352-86-2
[Synonyms]

Vortioxetine Impurity 62
N-acetyl vortioxetine IMPURITY
Wortoxetine Impurity T: Acetyl Wortoxetine
Ethanone, 1-[4-[2-[(2,4-dimethylphenyl)thio]phenyl]-1-piperazinyl]-
[Molecular Formula]

C20H24N2OS
[MOL File]

1801352-86-2.mol
[Molecular Weight]

340.48
Chemical PropertiesBack Directory
[Boiling point ]

491.7±45.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[pka]

2.31±0.10(Predicted)
[InChI]

InChI=1S/C20H24N2OS/c1-15-8-9-19(16(2)14-15)24-20-7-5-4-6-18(20)22-12-10-21(11-13-22)17(3)23/h4-9,14H,10-13H2,1-3H3
[InChIKey]

RTOYXVAUQYVQHB-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CCN(C2=CC=CC=C2SC2=CC=C(C)C=C2C)CC1)C
Hazard InformationBack Directory
[Uses]

1-[4-[2-[(2,4-Dimethylphenyl)thio]phenyl]-1-piperazinyl]ethanone is a useful chemical reagent. It is an impurity of Vortioxetine which is a multimodal serotonergic agent that inhibits 5-HT1A, 5-HT1B, 5-HT3A, 5-HT7 receptor and SERT (1,2,3).
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