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Details

Stereochemistry ACHIRAL
Molecular Formula C16H13F6N5O
Molecular Weight 405.2977
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN ENAMINE

SMILES

N\C(CC1=CC(F)=C(F)C=C1F)=C/C(=O)N2CCN3C(C2)=NN=C3C(F)(F)F

InChI

InChIKey=RLSFDUAUKXKPCZ-UITAMQMPSA-N
InChI=1S/C16H13F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4-6H,1-3,7,23H2/b9-5-

HIDE SMILES / InChI

Approval Year

Name Type Language
SITAGLIPTIN ENAMINE
Common Name English
(2Z)-3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-2-BUTEN-1-ONE
Systematic Name English
2-BUTEN-1-ONE, 3-AMINO-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-4-(2,4,5-TRIFLUOROPHENYL)-, (2Z)-
Systematic Name English
SITAGLIPTIN ENAMINE IMPURITY
Common Name English
Code System Code Type Description
PUBCHEM
29986152
Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023
PRIMARY
CAS
767340-03-4
Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023
PRIMARY
EPA CompTox
DTXSID301103416
Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023
PRIMARY
FDA UNII
DC8PXU74K8
Created by admin on Sat Dec 16 19:06:20 GMT 2023 , Edited by admin on Sat Dec 16 19:06:20 GMT 2023
PRIMARY