VORTIOXETINE HYDROBROMIDE


Chemical Name: VORTIOXETINE HYDROBROMIDE
CAS Number: 960203-27-4
Product Number: AG00IJQR(AGN-PC-0WAFN3)
Synonyms:
MDL No:
Molecular Formula: C18H23BrN2S
Molecular Weight: 379.3576

Identification/Properties


Computed Properties
Molecular Weight:
379.36g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
378.077g/mol
Monoisotopic Mass:
378.077g/mol
Topological Polar Surface Area:
40.6A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
316
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

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NMR Spectrum


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Chemical Structure



1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine hydrobromide is a versatile chemical compound widely used in chemical synthesis for its unique properties. This compound serves as a valuable intermediate in the production of various organic molecules, particularly in the pharmaceutical industry. Its distinctive structure containing a piperazine ring and a thioether moiety makes it a key building block for the synthesis of diverse compounds with biological activity. Specifically, in drug discovery and development, 1-(2-((2,4-Dimethylphenyl)thio)phenyl)piperazine hydrobromide plays a crucial role in the creation of potential therapeutic agents targeting a range of diseases. Its reactivity and compatibility with other functional groups make it an essential component in the construction of complex molecular structures for advanced chemical applications.