(10R,11AR)-5,6,9,10,11,11A-HEXAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-8H-1,2,4-TRIAZOLO(3',4':3,4)PYRAZINO(1,2-A)PYRIMIDIN-8-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H13F6N5O
Molecular Weight	405.2977
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (10R,11AR)-5,6,9,10,11,11A-HEXAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-8H-1,2,4-TRIAZOLO(3',4':3,4)PYRAZINO(1,2-A)PYRIMIDIN-8-ONE

Structure Search

SMILES

[H][C@@]2(CC1=CC(F)=C(F)C=C1F)CC(=O)N3CCN4C(=NN=C4C(F)(F)F)[C@]3([H])N2

InChI

InChIKey=WQAZXAXYEBZZFT-AMIZOPFISA-N

InChI=1S/C16H13F6N5O/c17-9-6-11(19)10(18)4-7(9)3-8-5-12(28)26-1-2-27-14(13(26)23-8)24-25-15(27)16(20,21)22/h4,6,8,13,23H,1-3,5H2/t8-,13-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(10R,11AR)-5,6,9,10,11,11A-HEXAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-8H-1,2,4-TRIAZOLO(3',4':3,4)PYRAZINO(1,2-A)PYRIMIDIN-8-ONE

Systematic Name

English

L-001029341

Code

English

8H-1,2,4-TRIAZOLO(3',4':3,4)PYRAZINO(1,2-A)PYRIMIDIN-8-ONE, 5,6,9,10,11,11A-HEXAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-, (10R,11AR)-

Systematic Name

English

SITAGLIPTIN METABOLITE M2

Common Name

English

Code System Code Type Description

FDA UNII

9H72SS3PFQ

Created by admin on Sat Dec 16 14:39:48 GMT 2023 , Edited by admin on Sat Dec 16 14:39:48 GMT 2023

PRIMARY

PUBCHEM

155928997

Created by admin on Sat Dec 16 14:39:48 GMT 2023 , Edited by admin on Sat Dec 16 14:39:48 GMT 2023

PRIMARY

CAS

940002-58-4

Created by admin on Sat Dec 16 14:39:48 GMT 2023 , Edited by admin on Sat Dec 16 14:39:48 GMT 2023

PRIMARY

PARENT (METABOLITE)


					QFP0P1DV7Z

SITAGLIPTIN

SUBSTANCE RECORD


					9H72SS3PFQ

(10R,11AR)-5,6,9,10,11,11A-HEXAHYDRO-3-(TRIFLUOROMETHYL)-10-((2,4,5-TRIFLUOROPHENYL)METHYL)-8H-1,2,4-TRIAZOLO(3',4':3,4)PYRAZINO(1,2-A)PYRIMIDIN-8-ONE