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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H11F3O5
Molecular Weight 316.2293
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione

SMILES

CC1(C)OC(=O)C(C(=O)CC2=CC(F)=C(F)C=C2F)C(=O)O1

InChI

InChIKey=QQLYZNCMELOPFL-UHFFFAOYSA-N
InChI=1S/C14H11F3O5/c1-14(2)21-12(19)11(13(20)22-14)10(18)4-6-3-8(16)9(17)5-7(6)15/h3,5,11H,4H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
2,2-Dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-1,3-dioxane-4,6-dione
Systematic Name English
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[2-(2,4,5-trifluorophenyl)acetyl]-
Systematic Name English
5-[1-Hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Systematic Name English
1,3-Dioxane-4,6-dione, 5-[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-2,2-dimethyl-
Systematic Name English
2,2-Dimethyl-5-[[1-hydroxy-2-(2,4,5-trifluorophenyl)ethylidene]-1,3-dioxane-4,6-dione
Common Name English
SITAGLIPTIN IMPURITY 31
Common Name English
Code System Code Type Description
CAS
1152439-73-0
Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023
PRIMARY
FDA UNII
JF5Z8G7R4S
Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023
PRIMARY
PUBCHEM
49784075
Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023
PRIMARY
CAS
764667-64-3
Created by admin on Sat Dec 16 18:58:23 GMT 2023 , Edited by admin on Sat Dec 16 18:58:23 GMT 2023
ALTERNATIVE