Identité

Trelagliptin Impurity X

Non indiqué · C18H22FN5O3

01Identité

Lazychem ID	LC-34331
CAS RN	Non indiqué
PubChem CID	139035767
Molecular formula	C18H22FN5O3
Molecular weight	375.4 g/mol
IUPAC name	2-[[6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzamide
InChIKey	AKNPUJHLPMLIQG-UHFFFAOYSA-N

02Structure et stéréochimie

Two-dimensional chemical structure of Trelagliptin Impurity X — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C(=O)N)N3CCCC(C3)N
InChI	Non indiqué

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

2 records

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.