Identiteta

Trelagliptin Impurity 96

Ni navedeno · C23H28FN5O4

01Identiteta

Lazychem ID	LC-35955
CAS RN	Ni navedeno
PubChem CID	122387914
Molecular formula	C23H28FN5O4
Molecular weight	457.5 g/mol
IUPAC name	tert-butyl N-[(3R)-1-[3-[(2-cyano-5-fluorophenyl)methyl]-1-methyl-2,6-dioxopyrimidin-4-yl]piperidin-3-yl]carbamate
InChIKey	LGVRWJBHPVAOLK-GOSISDBHSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Trelagliptin Impurity 96 — 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	CC(C)(C)OC(=O)N[C@@H]1CCCN(C1)C2=CC(=O)N(C(=O)N2CC3=C(C=CC(=C3)F)C#N)C
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.