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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28Br2N2O
Molecular Weight 508.289
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PNU-271965E FREE BASE

SMILES

CN(CC[C@@H]1OCCC2=CC(Br)=CC=C12)C3CCN(CC3)C4=CC=C(Br)C=C4

InChI

InChIKey=QIUSQLJZDPOMEH-QHCPKHFHSA-N
InChI=1S/C23H28Br2N2O/c1-26(12-10-23-22-7-4-19(25)16-17(22)11-15-28-23)20-8-13-27(14-9-20)21-5-2-18(24)3-6-21/h2-7,16,20,23H,8-15H2,1H3/t23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H28Br2N2O
Molecular Weight 508.289
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 Mon Mar 31 22:53:37 GMT 2025
Edited
by admin
on Mon Mar 31 22:53:37 GMT 2025
Record UNII
0304V791VE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PNU-271965E FREE BASE
Common Name English
4-PIPERIDINAMINE, N-(2-((1S)-6-BROMO-3,4-DIHYDRO-1H-2-BENZOPYRAN-1-YL)ETHYL)-1-(4-BROMOPHENYL)-N-METHYL-
Preferred Name English
Code System Code Type Description
PUBCHEM
9983736
Created by admin on Mon Mar 31 22:53:37 GMT 2025 , Edited by admin on Mon Mar 31 22:53:37 GMT 2025
PRIMARY
FDA UNII
0304V791VE
Created by admin on Mon Mar 31 22:53:37 GMT 2025 , Edited by admin on Mon Mar 31 22:53:37 GMT 2025
PRIMARY
CAS
786640-52-6
Created by admin on Mon Mar 31 22:53:37 GMT 2025 , Edited by admin on Mon Mar 31 22:53:37 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY