U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H26F2N2O2
Molecular Weight 352.4187
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EST-73502

SMILES

CCN1CC2(CCN(CCC3=CC(F)=CC=C3F)CC2)O[C@H](C)C1=O

InChI

InChIKey=KALIKXMQWFLZKB-CQSZACIVSA-N
InChI=1S/C19H26F2N2O2/c1-3-23-13-19(25-14(2)18(23)24)7-10-22(11-8-19)9-6-15-12-16(20)4-5-17(15)21/h4-5,12,14H,3,6-11,13H2,1-2H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H26F2N2O2
Molecular Weight 352.4187
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 19:23:51 GMT 2025
Edited
by admin
on Wed Apr 02 19:23:51 GMT 2025
Record UNII
2L6QPL2USH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EST-73502
Common Name English
EST73502
Preferred Name English
1-Oxa-4,9-diazaspiro[5.5]undecan-3-one, 9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-, (2R)-
Systematic Name English
(2R)-9-[2-(2,5-Difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
Systematic Name English
Code System Code Type Description
CAS
1838622-25-5
Created by admin on Wed Apr 02 19:23:51 GMT 2025 , Edited by admin on Wed Apr 02 19:23:51 GMT 2025
PRIMARY
SMS_ID
300000042410
Created by admin on Wed Apr 02 19:23:51 GMT 2025 , Edited by admin on Wed Apr 02 19:23:51 GMT 2025
PRIMARY
PUBCHEM
118561036
Created by admin on Wed Apr 02 19:23:51 GMT 2025 , Edited by admin on Wed Apr 02 19:23:51 GMT 2025
PRIMARY
FDA UNII
2L6QPL2USH
Created by admin on Wed Apr 02 19:23:51 GMT 2025 , Edited by admin on Wed Apr 02 19:23:51 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Emax=90% Relative maximum effect induced by stimulation with DAMGO. MOR functionality (EC50) measuring cyclic AMP (cAMP) on CHO-K1 cells.
EC50
ENANTIOMER -> ENANTIOMER
TARGET -> AGONIST
Binding assay using [3H]-DAMGO as radioligand.
BINDING
Ki
TARGET -> INHIBITOR
Ki
RACEMATE -> ENANTIOMER
Related Record Type Details
ACTIVE MOIETY