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Vilazodone

CAT: 0607-A3918-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A3918-10Size:10 mg
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Description
Combined SSRI and 5-HT1A receptor partial agonist
CAS Number
163521-12-8
Product Name Alternative
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
Sequence
EMD 68843;SB 659746A;EMD-68843;EMD68843;SB-659746A;SB659746A
Field of Research
GPCR G protein 5-HT Receptor Neuroscience 5-HT Receptor
Purity
0.9906
Solubility
≥43.67 mg/mL in DMSO; ≥3.29 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N
Molecular Formula
C26H27N5O2
Molecular Weight
441.52
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Vilazodone

Vilazodone is a 1-benzofuran that is 5-(piperazin-1-yl}-1-benzofuran-2-carboxamide having a (5-cyanoindol-3-yl)butyl group attached at position N-4 on the piperazine ring. Used for the treatment of major depressive disorder. It has a role as an antidepressant, a serotonergic agonist and a serotonin uptake inhibitor. It is a nitrile, a member of indoles, a monocarboxylic acid amide, a member of 1-benzofurans, a N-alkylpiperazine and a N-arylpiperazine. It is a conjugate base of a vilazodone(1+).

CAS Number163521-12-8
PubChem CID6918314
IUPAC Name5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular FormulaC26H27N5O2
Molecular Weight441.5
XLogP4
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity729
SMILES
C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N
InChI
InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32)
InChIKey
SGEGOXDYSFKCPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vilazodone
CAS: 163521-12-8
CID: 6918314
Formula: C26H27N5O2
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass441.21647512
Monoisotopic Mass441.21647512
Topological Polar Surface Area102 Ų
Heavy Atom Count33
Formal Charge0
Complexity729
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-14262-01Vilazodone
RM-V122601-01Vilazodone Impurity A (Vilazodone N-Oxide)
HY-14261S-01Vilazodone-d8
MBS386875-01Vilazodone Hydrochloride
A11116-100Vilazodone 100mg
M18100-01Vilazodone HCl

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