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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O7
Molecular Weight 416.4642
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Deschloroempagliflozin

SMILES

OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)C2=CC(CC3=CC=C(O[C@H]4CCOC4)C=C3)=CC=C2

InChI

InChIKey=OQMQDKPDEZRGNE-PQBVEICXSA-N
InChI=1S/C23H28O7/c24-12-19-20(25)21(26)22(27)23(30-19)16-3-1-2-15(11-16)10-14-4-6-17(7-5-14)29-18-8-9-28-13-18/h1-7,11,18-27H,8-10,12-13H2/t18-,19+,20+,21-,22+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
Deschloroempagliflozin
Common Name English
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(((S)-tetrahydrofuran-3-yl)oxy)benzyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
Preferred Name English
Code System Code Type Description
CAS
2452301-27-6
Created by admin on Wed Apr 02 12:06:47 GMT 2025 , Edited by admin on Wed Apr 02 12:06:47 GMT 2025
PRIMARY
FDA UNII
W5E6MK8XJF
Created by admin on Wed Apr 02 12:06:47 GMT 2025 , Edited by admin on Wed Apr 02 12:06:47 GMT 2025
PRIMARY
PUBCHEM
129012007
Created by admin on Wed Apr 02 12:06:47 GMT 2025 , Edited by admin on Wed Apr 02 12:06:47 GMT 2025
PRIMARY