Identiteet

Sitagliptin impurity 2

Pole loetletud · C24H22F6N6O2

01Identiteet

Lazychem ID	LC-39712
CAS RN	Pole loetletud
PubChem CID	58420444
Molecular formula	C24H22F6N6O2
Molecular weight	540.5 g/mol
IUPAC name	(2S)-2-[[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]-2-phenylacetamide
InChIKey	DQIPFFHYFVHRIT-VFNWGFHPSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Sitagliptin impurity 2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N[C@@H](C4=CC=CC=C4)C(=O)N
InChI	Pole loetletud

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.