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Details

Stereochemistry RACEMIC
Molecular Formula C16H13F6N5O2
Molecular Weight 421.2971
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN TRIAZECINE ANALOG, (±)-

SMILES

FC1=CC(F)=C(F)C=C1CC2CC(=O)NCCN3C(=NN=C3C(F)(F)F)C(=O)N2

InChI

InChIKey=CJUCSNDPMOGZTM-UHFFFAOYSA-N
InChI=1S/C16H13F6N5O2/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)23-1-2-27-13(14(29)24-8)25-26-15(27)16(20,21)22/h4,6,8H,1-3,5H2,(H,23,28)(H,24,29)

HIDE SMILES / InChI

Molecular Formula C16H13F6N5O2
Molecular Weight 421.2971
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:27:14 GMT 2023
Edited
by admin
on Sat Dec 16 19:27:14 GMT 2023
Record UNII
XZ4N6T7TDZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SITAGLIPTIN TRIAZECINE ANALOG, (±)-
Common Name English
1,2,4-Triazolo[3,4-c][1,4,7]triazecine-8,12(5H,9H)-dione, 6,7,10,11-tetrahydro-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-
Common Name English
3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5H,6H,7H,8H,9H,10H,11H,12H-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione
Systematic Name English
Code System Code Type Description
PUBCHEM
149913861
Created by admin on Sat Dec 16 19:27:14 GMT 2023 , Edited by admin on Sat Dec 16 19:27:14 GMT 2023
PRIMARY
CAS
2805078-75-3
Created by admin on Sat Dec 16 19:27:14 GMT 2023 , Edited by admin on Sat Dec 16 19:27:14 GMT 2023
PRIMARY
FDA UNII
XZ4N6T7TDZ
Created by admin on Sat Dec 16 19:27:14 GMT 2023 , Edited by admin on Sat Dec 16 19:27:14 GMT 2023
PRIMARY