U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C26H27N5O3
Molecular Weight 457.5243
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-(4-(5-CYANO-1H-INDOL-3-YL)-4-HYDROXY-BUTYL)PIPERAZIN-1-YL)BENZOFURAN-2-CARBOXAMIDE

SMILES

NC(=O)C1=CC2=CC(=CC=C2O1)N3CCN(CCCC(O)C4=CNC5=C4C=C(C=C5)C#N)CC3

InChI

InChIKey=APFJGEFTRKTPQC-UHFFFAOYSA-N
InChI=1S/C26H27N5O3/c27-15-17-3-5-22-20(12-17)21(16-29-22)23(32)2-1-7-30-8-10-31(11-9-30)19-4-6-24-18(13-19)14-25(34-24)26(28)33/h3-6,12-14,16,23,29,32H,1-2,7-11H2,(H2,28,33)

HIDE SMILES / InChI

Molecular Formula C26H27N5O3
Molecular Weight 457.5243
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:24:38 UTC 2023
Edited
by admin
on Sat Dec 16 14:24:38 UTC 2023
Record UNII
P52I919AZ6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-(4-(5-CYANO-1H-INDOL-3-YL)-4-HYDROXY-BUTYL)PIPERAZIN-1-YL)BENZOFURAN-2-CARBOXAMIDE
Systematic Name English
2-BENZOFURANCARBOXAMIDE, 6-(4-(4-(5-CYANO-1H-INDOL-3-YL)-4-HYDROXYBUTYL)-1-PIPERAZINYL)-
Systematic Name English
5-(4-(4-(5-CYANO-1H-INDOL-3-YL)-4-HYDROXYBUTYL)PIPERAZIN-1-YL)BENZOFURAN-2-CARBOXAMIDE
Systematic Name English
VILAZODONE METABOLITE M11
Common Name English
Code System Code Type Description
PUBCHEM
138320015
Created by admin on Sat Dec 16 14:24:38 UTC 2023 , Edited by admin on Sat Dec 16 14:24:38 UTC 2023
PRIMARY
CAS
2230878-22-3
Created by admin on Sat Dec 16 14:24:38 UTC 2023 , Edited by admin on Sat Dec 16 14:24:38 UTC 2023
PRIMARY
FDA UNII
P52I919AZ6
Created by admin on Sat Dec 16 14:24:38 UTC 2023 , Edited by admin on Sat Dec 16 14:24:38 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE