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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H15F6N5O
Molecular Weight 407.3136
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,3,6-trifluorophenyl)-1-butanone, (3R)-

SMILES

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

InChI

InChIKey=QYCBJMPVGAGUAX-MRVPVSSYSA-N
InChI=1S/C16H15F6N5O/c17-10-1-2-11(18)14(19)9(10)5-8(23)6-13(28)26-3-4-27-12(7-26)24-25-15(27)16(20,21)22/h1-2,8H,3-7,23H2/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H15F6N5O
Molecular Weight 407.3136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:30:56 GMT 2025
Edited
by admin
on Wed Apr 02 17:30:56 GMT 2025
Record UNII
K2NW6QS5EC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R)-3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,3,6-trifluorophenyl)-1-butanone
Preferred Name English
3-Amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,3,6-trifluorophenyl)-1-butanone, (3R)-
Systematic Name English
1-Butanone, 3-amino-1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,3,6-trifluorophenyl)-, (3R)-
Systematic Name English
4,5-Desfluoro-2,3-difluoro sitagliptin
Systematic Name English
Code System Code Type Description
CAS
945261-50-7
Created by admin on Wed Apr 02 17:30:56 GMT 2025 , Edited by admin on Wed Apr 02 17:30:56 GMT 2025
PRIMARY
FDA UNII
K2NW6QS5EC
Created by admin on Wed Apr 02 17:30:56 GMT 2025 , Edited by admin on Wed Apr 02 17:30:56 GMT 2025
PRIMARY
PUBCHEM
44431176
Created by admin on Wed Apr 02 17:30:56 GMT 2025 , Edited by admin on Wed Apr 02 17:30:56 GMT 2025
PRIMARY