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Chemical structure of Vilazodone carboxylic acid

GC38956

Vilazodone carboxylic acid

Also known as 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxylic acid

Vilazodone carboxylic acid is a vilazodone metabolite observed in both urine (major) and plasma (minor)

ChemicalCAS163521-19-5MW442.51FormulaC26H26N4O3
CAS number
163521-19-5
Molecular weight
442.51
Formula
C26H26N4O3
Solubility
DMSO ： 4 mg/mL (9·04 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RSXUEYFLDNUILS-UHFFFAOYSA-N
Catalogue number
GC38956
Brand
GLPBIO
Computed properties PubChem CID 11201569 · XLogP 2.4 · TPSA 96.5 Ų · H-bond donors 2
XLogP
2.4
TPSA
96.5 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
33

SMILES C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)O

Computed descriptors from PubChem (CID 11201569), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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