(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16F5N5O
Molecular Weight	389.3232
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE

Structure Search

SMILES

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

InChI

InChIKey=FWMYEIUDYSGXQO-LLVKDONJSA-N

InChI=1S/C16H16F5N5O/c17-10-2-1-9(12(18)6-10)5-11(22)7-14(27)25-3-4-26-13(8-25)23-24-15(26)16(19,20)21/h1-2,6,11H,3-5,7-8,22H2/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16F5N5O
Molecular Weight	389.3232
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 `Sat Dec 16 14:55:58 GMT 2023` Edited by `admin` on `Sat Dec 16 14:55:58 GMT 2023`
Record UNII	IP5PMS7GWY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(3-(TRIFLUOROMETHYL)-5,6-DIHYDRO(1,2,4)TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)BUTAN-1-ONE

Systematic Name

English

1-BUTANONE, 3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-, (3R)-

Systematic Name

English

SITAGLIPTIN PHOSPHATE IMPURITY C [EP IMPURITY]

Common Name

English

(3R)-3-AMINO-4-(2,4-DIFLUOROPHENYL)-1-(5,6-DIHYDRO-3-(TRIFLUOROMETHYL)-1,2,4-TRIAZOLO(4,3-A)PYRAZIN-7(8H)-YL)-1-BUTANONE

Systematic Name

English

Code System Code Type Description

FDA UNII

IP5PMS7GWY

Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023

PRIMARY

CAS

945261-48-3

Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023

PRIMARY

PUBCHEM

11957945

Created by admin on Sat Dec 16 14:55:58 GMT 2023 , Edited by admin on Sat Dec 16 14:55:58 GMT 2023

PRIMARY

Related Record Type Details


					TS63EW8X6F

SITAGLIPTIN PHOSPHATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: