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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30NO4S2
Molecular Weight 484.651
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of (3S)-3-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane

SMILES

OC(C(=O)O[C@@H]1C[N+]3(CCCOC2=CC=CC=C2)CCC1CC3)(C4=CC=CS4)C5=CC=CS5

InChI

InChIKey=ASMXXROZKSBQIH-QHMKHHNBSA-N
InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3S)-3-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane
Systematic Name English
1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-, (3S)-
Preferred Name English
3-[(2-Hydroxy-2,2-di-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane, (3S)-
Systematic Name English
1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydi-2-thienylacetyl)oxy]-1-(3-phenoxypropyl)-, (3S)-
Systematic Name English
Code System Code Type Description
CAS
760163-21-1
Created by admin on Wed Apr 02 20:09:12 GMT 2025 , Edited by admin on Wed Apr 02 20:09:12 GMT 2025
PRIMARY
PUBCHEM
11228026
Created by admin on Wed Apr 02 20:09:12 GMT 2025 , Edited by admin on Wed Apr 02 20:09:12 GMT 2025
PRIMARY
FDA UNII
C6V6LNU2YL
Created by admin on Wed Apr 02 20:09:12 GMT 2025 , Edited by admin on Wed Apr 02 20:09:12 GMT 2025
PRIMARY