Identiteta

Trelagliptin Impurity 29

Ni navedeno · C18H21FN4O4

01Identiteta

Lazychem ID	LC-33394
CAS RN	Ni navedeno
PubChem CID	163202780
Molecular formula	C18H21FN4O4
Molecular weight	376.4 g/mol
IUPAC name	2-[[6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxopyrimidin-1-yl]methyl]-4-fluorobenzoic acid
InChIKey	WFXLOVPODAMALO-CYBMUJFWSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Trelagliptin Impurity 29 — 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	CN1C(=O)C=C(N(C1=O)CC2=C(C=CC(=C2)F)C(=O)O)N3CCC[C@H](C3)N
InChI	Ni navedeno

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.