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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H27ClO7
Molecular Weight 450.909
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMPAGLIFLOZIN ORTHO ISOMER

SMILES

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

InChI

InChIKey=ISERMSWSEGERFK-WBWVDNPISA-N
InChI=1S/C23H27ClO7/c24-17-6-5-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(17)9-13-3-1-2-4-18(13)30-16-7-8-29-12-16/h1-6,10,16,19-23,25-28H,7-9,11-12H2/t16-,19-,20-,21+,22-,23+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
EMPAGLIFLOZIN ORTHO ISOMER
Common Name English
(2S,3R,4R,5S,6R)-2-(4-CHLORO-3-(2-(((R)-TETRAHYDROFURAN-3-YL)OXY)BENZYL)PHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL
Systematic Name English
Code System Code Type Description
CAS
2452301-30-1
Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023
PRIMARY
FDA UNII
5M9GTK8Y65
Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023
PRIMARY
PUBCHEM
162368353
Created by admin on Sat Dec 16 18:58:24 GMT 2023 , Edited by admin on Sat Dec 16 18:58:24 GMT 2023
PRIMARY