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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H34N2O4
Molecular Weight 426.5485
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PR-22, (R)-

SMILES

COC1=CC=C(CCNCCC[C@@](C#N)(C(C)C)C2=CC=C(O)C(OC)=C2)C=C1OC

InChI

InChIKey=QNBHQNSKRZAZJQ-RUZDIDTESA-N
InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)23(16-20)30-4)12-6-13-27-14-11-19-7-10-22(29-3)24(15-19)31-5/h7-10,15-16,18,27-28H,6,11-14H2,1-5H3/t25-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H34N2O4
Molecular Weight 426.5485
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 23:46:21 GMT 2025
Edited
by admin
on Mon Mar 31 23:46:21 GMT 2025
Record UNII
ZW1EC3Y670
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PR-22, (R)-
Common Name English
(R)-PR22
Preferred Name English
BENZENEACETONITRILE, .ALPHA.-(3-((2-(3,4-DIMETHOXYPHENYL)ETHYL)AMINO)PROPYL)-4-HYDROXY-3-METHOXY-.ALPHA.-(1-METHYLETHYL)-, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
ZW1EC3Y670
Created by admin on Mon Mar 31 23:46:21 GMT 2025 , Edited by admin on Mon Mar 31 23:46:21 GMT 2025
PRIMARY
CAS
139561-54-9
Created by admin on Mon Mar 31 23:46:21 GMT 2025 , Edited by admin on Mon Mar 31 23:46:21 GMT 2025
PRIMARY
PUBCHEM
91810613
Created by admin on Mon Mar 31 23:46:21 GMT 2025 , Edited by admin on Mon Mar 31 23:46:21 GMT 2025
PRIMARY