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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16F5N5O
Molecular Weight 389.3232
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE

SMILES

N[C@@H](CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=CC=C(F)C=C3F

InChI

InChIKey=FWMYEIUDYSGXQO-LLVKDONJSA-N
InChI=1S/C16H16F5N5O/c17-10-2-1-9(12(18)6-10)5-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,6,11H,3-5,7-8,22H2/t11-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE
Systematic Name English
1-BUTANONE, 3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-, (3R)-
Systematic Name English
SITAGLIPTIN PHOSPHATE IMPURITY C [EP IMPURITY]
Common Name English
(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-1-BUTANONE
Systematic Name English
Code System Code Type Description
FDA UNII
IP5PMS7GWY
Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023
PRIMARY
CAS
945261-48-3
Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023
PRIMARY
PUBCHEM
11957945
Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023
PRIMARY