Identita

Trelagliptin Impurity K

Neuvedeno · C17H18FN5O2

01Identita

Lazychem ID	LC-38990
CAS RN	Neuvedeno
PubChem CID	67688101
Molecular formula	C17H18FN5O2
Molecular weight	343.36 g/mol
IUPAC name	2-[[6-[(3R)-3-aminopiperidin-1-yl]-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzonitrile
InChIKey	LVFRISSCOVYADV-CQSZACIVSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Trelagliptin Impurity K — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	C1C[C@H](CN(C1)C2=CC(=O)NC(=O)N2CC3=C(C=CC(=C3)F)C#N)N
InChI	Neuvedeno

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.