rac-Sitagliptin

Details

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

SHOW SMILES / InChI

Structure Search

SMILES

NC(CC(=O)N1CCN2C(C1)=NN=C2C(F)(F)F)CC3=C(F)C=C(F)C(F)=C3

InChI

InChIKey=MFFMDFFZMYYVKS-UHFFFAOYSA-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

HIDE SMILES / InChI

Molecular Formula	C16H15F6N5O
Molecular Weight	407.3136
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:32:26 GMT 2025` Edited by `admin` on `Wed Apr 02 17:32:26 GMT 2025`
Record UNII	X9M873A9NG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

rac-Sitagliptin

Common Name

English

1,2,4-Triazolo[4,3-a]pyrazine, 7-[3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-

Preferred Name

English

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

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)-

Systematic Name

English

7-[1-Oxo-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine

Systematic Name

English

3-Amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

Systematic Name

English

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

Code System Code Type Description

FDA UNII

X9M873A9NG

Created by admin on Wed Apr 02 17:32:26 GMT 2025 , Edited by admin on Wed Apr 02 17:32:26 GMT 2025

PRIMARY

PUBCHEM

11306691

Created by admin on Wed Apr 02 17:32:26 GMT 2025 , Edited by admin on Wed Apr 02 17:32:26 GMT 2025

PRIMARY

CAS

823817-56-7

Created by admin on Wed Apr 02 17:32:26 GMT 2025 , Edited by admin on Wed Apr 02 17:32:26 GMT 2025

PRIMARY

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