3-Trifluoroacetylamino Linagliptin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27F3N8O3
Molecular Weight	568.5503
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Trifluoroacetylamino Linagliptin

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC(C)=C4C=CC=CC4=N3)C(=O)N2C)N5CCC[C@H](C5)NC(=O)C(F)(F)F

InChI

InChIKey=IQUUOPZPFJAZJX-QGZVFWFLSA-N

InChI=1S/C27H27F3N8O3/c1-4-5-13-37-21-22(34-25(37)36-12-8-9-17(14-36)32-24(40)27(28,29)30)35(3)26(41)38(23(21)39)15-20-31-16(2)18-10-6-7-11-19(18)33-20/h6-7,10-11,17H,8-9,12-15H2,1-3H3,(H,32,40)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H27F3N8O3
Molecular Weight	568.5503
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 `Wed Apr 02 17:39:57 GMT 2025` Edited by `admin` on `Wed Apr 02 17:39:57 GMT 2025`
Record UNII	ZAG57DVY7E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Trifluoroacetylamino Linagliptin

Systematic Name

English

Linagliptin Impurity F

Preferred Name

English

N-[(3R)-1-[7-(2-Butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-2,2,2-trifluoroacetamide

Systematic Name

English

(R)-N-(1-(7-(But-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)-2,2,2-trifluoroacetamide

Systematic Name

English

Acetamide, N-[(3R)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-2,2,2-trifluoro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810720

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

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CAS

1673546-62-7

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

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FDA UNII

ZAG57DVY7E

Created by admin on Wed Apr 02 17:39:57 GMT 2025 , Edited by admin on Wed Apr 02 17:39:57 GMT 2025

PRIMARY