A metabolite of vilazodone
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Vilazodone Carboxylic Acid

Item No. 45834

Technical Information
Formal Name
5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]-1-piperazinyl]-2-benzofurancarboxylic acid
CAS Number
163521-19-5
Molecular Formula
C26H26N4O3
Formula Weight
Purity
≥98%
A solid
DMSO: Slightly soluble: 0.1-1 mg/ml
SMILES
OC(C1=CC(C=C(N2CCN(CCCCC3=CNC4=C3C=C(C#N)C=C4)CC2)C=C5)=C5O1)=O
InChi Code
InChI=1S/C26H26N4O3/c27-16-18-4-6-23-22(13-18)19(17-28-23)3-1-2-8-29-9-11-30(12-10-29)21-5-7-24-20(14-21)15-25(33-24)26(31)32/h4-7,13-15,17,28H,1-3,8-12H2,(H,31,32)
InChi Key
RSXUEYFLDNUILS-UHFFFAOYSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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Certificates of Analysis & Batch Specific Data

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    Product Description

    Vilazodone carboxylic acid is a metabolite of the selective serotonin reuptake inhibitor (SSRI) vilazodone (Item No. 21547).1 It is also a potential impurity in commercial preparations of vilazodone.2

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Chavan, B.B., Kalariya, P.D., Tiwari, S., et alIdentification and characterization of vilazodone metabolites in rats and microsomes by ultrahigh-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry. Rapid Commun. Mass Spectrom. 31(23), 1974-1984 (2017).

    2. Das, P., Srivastava, B., Joseph, S., et alAmidation and N-boc deprotection process improvement for the preparation of 5-(1-piperazinyl)benzofuran-2-carboxamide, a key intermediate of vilazodone. Org. Process Res. Dev. 18, 665-667 (2014).