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3-Bromo-vortioxetine Hydrobromide

CAT: 1459-CS-O-35928Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-35928Size:1 Each
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Description
3-Bromo-vortioxetine Hydrobromide is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with vortioxetine. The product is supplied by Clearsynth under CAT No. CS-O-35928. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
2725536-51-4
Synonyms
3-Bromo-vortioxetine Hydrobromide
Molecular Formula
C 18 H 22 Br 2 N 2 S
Molecular Weight
458.25
Additionnal Information
3-Bromo-vortioxetine Hydrobromide is supplied with detailed characterization data compliant with regulatory guideline. 3-Bromo-vortioxetine Hydrobromide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of vortioxetine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

3-Bromo-vortioxetine Hydrobromide
CAS Number2725536-51-4
PubChem CID171382419
IUPAC Name1-[2-(3-bromo-2,4-dimethylphenyl)sulfanylphenyl]piperazine;hydrobromide
Molecular FormulaC18H22Br2N2S
Molecular Weight458.3
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity348
SMILES
CC1=C(C(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C)Br.Br
InChI
InChI=1S/C18H21BrN2S.BrH/c1-13-7-8-16(14(2)18(13)19)22-17-6-4-3-5-15(17)21-11-9-20-10-12-21;/h3-8,20H,9-12H2,1-2H3;1H
InChIKey
YUHHIMMHWAGFCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-vortioxetine Hydrobromide
CAS: 2725536-51-4
CID: 171382419
Formula: C18H22Br2N2S
MW: 458.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass457.98500
Monoisotopic Mass455.98705
Topological Polar Surface Area40.6 Ų
Heavy Atom Count23
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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