(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

FC1=CC(F)=C(F)C=C1C[C@@H]2CC(=O)N3CCN4C(=NN=C4C(F)(F)F)[C@@H]3N2

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

Molecular Formula	C16H13F6N5O
Molecular Weight	405.2977
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:38:03 GMT 2025` Edited by `admin` on `Wed Apr 02 00:38:03 GMT 2025`
Record UNII	9H72SS3PFQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-001029341

Preferred Name

English

(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

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 Wed Apr 02 00:38:03 GMT 2025 , Edited by admin on Wed Apr 02 00:38:03 GMT 2025

PRIMARY

PUBCHEM

155928997

Created by admin on Wed Apr 02 00:38:03 GMT 2025 , Edited by admin on Wed Apr 02 00:38:03 GMT 2025

PRIMARY

CAS

940002-58-4

Created by admin on Wed Apr 02 00:38:03 GMT 2025 , Edited by admin on Wed Apr 02 00:38:03 GMT 2025

PRIMARY

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