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

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 3'-EPI EMPAGLIFLOZIN

SMILES

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

InChI

InChIKey=OBWASQILIWPZMG-VUOLKEHKSA-N
InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19-,20-,21+,22-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H27ClO7
Molecular Weight 450.909
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:43:32 GMT 2023
Edited
by admin
on Sat Dec 16 18:43:32 GMT 2023
Record UNII
RU69F6Q4ZE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-EPI EMPAGLIFLOZIN
Common Name English
D-GLUCITOL, 1,5-ANHYDRO-1-C-(4-CHLORO-3-((4-(((3R)-TETRAHYDRO-3-FURANYL)OXY)PHENYL)METHYL)PHENYL)-, (1S)-
Common Name English
EMPAGLIFLOZIN (R)-ISOMER
Common Name English
EMPAGLIFLOZIN IMPURITY C
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID701113221
Created by admin on Sat Dec 16 18:43:32 GMT 2023 , Edited by admin on Sat Dec 16 18:43:32 GMT 2023
PRIMARY
FDA UNII
RU69F6Q4ZE
Created by admin on Sat Dec 16 18:43:32 GMT 2023 , Edited by admin on Sat Dec 16 18:43:32 GMT 2023
PRIMARY
PUBCHEM
11949687
Created by admin on Sat Dec 16 18:43:32 GMT 2023 , Edited by admin on Sat Dec 16 18:43:32 GMT 2023
PRIMARY
CAS
864070-43-9
Created by admin on Sat Dec 16 18:43:32 GMT 2023 , Edited by admin on Sat Dec 16 18:43:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY