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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H13F6N5O2
Molecular Weight 421.2971
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SITAGLIPTIN TRIAZECINE ANALOG

SMILES

FC1=CC(F)=C(F)C=C1C[C@@H]2CC(=O)NCCN3C(=NN=C3C(F)(F)F)C(=O)N2

InChI

InChIKey=CJUCSNDPMOGZTM-MRVPVSSYSA-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)/t8-/m1/s1

HIDE SMILES / InChI

Approval Year

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)-, (10R)-
Systematic Name English
10-(2,4,5-TRIFLUORO BENZYL)-3-(TRIFLUOROMETHYL)-6,7,10,11-TETRAHYDRO-(1,2,4) TRIAZOLO(3,4-C) (1,4,7) TRIAZECINE-8,12(5H,9H)-DIONE.
Common Name English
(10R)-6,7,10,11-TETRAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-1,2,4-TRIAZOLO(3,4-C)(1,4,7)TRIAZECINE-8,12(5H,9H)-DIONE
Systematic Name English
Code System Code Type Description
FDA UNII
6EV5E35ZMR
Created by admin on Sat Dec 16 11:16:17 GMT 2023 , Edited by admin on Sat Dec 16 11:16:17 GMT 2023
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PUBCHEM
125270268
Created by admin on Sat Dec 16 11:16:17 GMT 2023 , Edited by admin on Sat Dec 16 11:16:17 GMT 2023
PRIMARY
CAS
2088771-61-1
Created by admin on Sat Dec 16 11:16:17 GMT 2023 , Edited by admin on Sat Dec 16 11:16:17 GMT 2023
PRIMARY