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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H12F6N4O2
Molecular Weight 406.2825
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN KETO AMIDE

SMILES

FC1=CC(F)=C(F)C=C1CC(=O)CC(=O)N2CCN3C(C2)=NN=C3C(F)(F)F

InChI

InChIKey=QAEDTLFWHIEVPK-UHFFFAOYSA-N
InChI=1S/C16H12F6N4O2/c17-10-6-12(19)11(18)4-8(10)3-9(27)5-14(28)25-1-2-26-13(7-25)23-24-15(26)16(20,21)22/h4,6H,1-3,5,7H2

HIDE SMILES / InChI

Approval Year

Name Type Language
SITAGLIPTIN KETO AMIDE
Common Name English
SITAGLIPTIN KETO AMIDE IMPURITY
Common Name English
PROSITAGLIPTIN KETONE
Common Name English
1,3-BUTANEDIONE, 1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-
Common Name English
7-(1,3-DIOXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)-3-TRIFLUOROMETHYL-5,6,7,8-TETRAHYDRO-1,2,4-TRIAZOLO(4,3-A)PYRAZINE
Common Name English
1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTANE-1,3-DIONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9887588
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
CZZ5UJ9MJ6
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
CAS
764667-65-4
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
EPA CompTox
DTXSID50432418
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