SITAGLIPTIN, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H15F6N5O
Molecular Weight	407.3136
Optical Activity	( + )
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=MFFMDFFZMYYVKS-VIFPVBQESA-N

InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H15F6N5O
Molecular Weight	407.3136
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 14:55:56 UTC 2023` Edited by `admin` on `Sat Dec 16 14:55:56 UTC 2023`
Record UNII	WQC5W43W24
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SITAGLIPTIN, (S)-

Common Name

English

(S)-SITAGLIPTIN

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

SITAGLIPTIN PHOSPHATE IMPURITY A [EP IMPURITY]

Common Name

English

1,2,4-TRIAZOLO(4,3-A)PYRAZINE, 7-((3S)-3-AMINO-1-OXO-4-(2,4,5-TRIFLUOROPHENYL)BUTYL)-5,6,7,8-TETRAHYDRO-3-(TRIFLUOROMETHYL)-

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

11432118

Created by admin on Sat Dec 16 14:55:56 UTC 2023 , Edited by admin on Sat Dec 16 14:55:56 UTC 2023

PRIMARY

CAS

823817-55-6

Created by admin on Sat Dec 16 14:55:56 UTC 2023 , Edited by admin on Sat Dec 16 14:55:56 UTC 2023

PRIMARY

FDA UNII

WQC5W43W24

Created by admin on Sat Dec 16 14:55:56 UTC 2023 , Edited by admin on Sat Dec 16 14:55:56 UTC 2023

PRIMARY

Related Record Type Details


					TS63EW8X6F

SITAGLIPTIN PHOSPHATE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: