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

Details

Stereochemistry ABSOLUTE
Molecular Formula C24H31N3O3
Molecular Weight 409.5212
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-109291, (R)-

SMILES

CNC(=O)C1=CC=C2[C@@H](CCN3CCN(CC3)C4=CC=C(OC)C=C4)OCCC2=C1

InChI

InChIKey=UDLSEQDYARNKTL-HSZRJFAPSA-N
InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H31N3O3
Molecular Weight 409.5212
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:07:22 GMT 2025
Edited
by admin
on Wed Apr 02 13:07:22 GMT 2025
Record UNII
VY762J4L4K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1R)-3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE
Preferred Name English
PNU-109291, (R)-
Code English
1H-2-BENZOPYRAN-6-CARBOXAMIDE, 3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-, (1R)
Systematic Name English
3,4-DIHYDRO-1-(2-(4-(4-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE, (1R)-
Systematic Name English
Code System Code Type Description
CAS
187665-61-8
Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025
PRIMARY
PUBCHEM
10621491
Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025
PRIMARY
FDA UNII
VY762J4L4K
Created by admin on Wed Apr 02 13:07:22 GMT 2025 , Edited by admin on Wed Apr 02 13:07:22 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER