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Vortioxetine

CAT: 1299-RM-O201500-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-O201500-01Size:10 mg
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CAS Number
508233-74-7
Synonyms
1- (2- ((2,4-DiMethylphenyl) thio) phenyl) piperazine
Molecular Formula
C18H22N2S
Molecular Weight
298.45
Target Alternative Name
Vortioxetine
Product Name Synonym
1- (2- ((2,4-DiMethylphenyl) thio) phenyl) piperazine

Chemical Information

Vortioxetine

Vortioxetine is an N-arylpiperazine in which the aryl group is specified as 2-[(2,4-dimethylphenyl)sulfanyl]phenyl. Used (as its hydrobromide salt) for treatment of major depressive disorder. It has a role as an antidepressant, an anxiolytic drug, a serotonergic agonist and a serotonergic antagonist. It is an aryl sulfide and a N-arylpiperazine. It is a conjugate base of a vortioxetine(1+).

CAS Number508233-74-7
PubChem CID9966051
IUPAC Name1-[2-(2,4-dimethylphenyl)sulfanylphenyl]piperazine
Molecular FormulaC18H22N2S
Molecular Weight298.4
XLogP4.2
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity316
SMILES
CC1=CC(=C(C=C1)SC2=CC=CC=C2N3CCNCC3)C
InChI
InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3
InChIKey
YQNWZWMKLDQSAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vortioxetine
CAS: 508233-74-7
CID: 9966051
Formula: C18H22N2S
MW: 298.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass298.15036988
Monoisotopic Mass298.15036988
Topological Polar Surface Area40.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-15414-01Vortioxetine
CS-P-01754Para-Vortioxetine
HY-15414S3Vortioxetine-d3
HY-15414S2Vortioxetine-d4
TMIJ-0130-01Vortioxetine-d8
HY-15414A-01Vortioxetine (hydrobromide)
468762-01Vortioxetine Sulfone
468759-01Vortioxetine Hydrobromide

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