Identiteta

Sitagliptin Impurity 25

Ni navedeno · C16H16F6N5O4P

01Identiteta

Lazychem ID	LC-33386
CAS RN	Ni navedeno
PubChem CID	163202901
Molecular formula	C16H16F6N5O4P
Molecular weight	487.29 g/mol
IUPAC name	[[(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]phosphonic acid
InChIKey	OGESKRMKEMCGID-SECBINFHSA-N

02Struktura in stereokemija

Two-dimensional chemical structure of Sitagliptin Impurity 25 — 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	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)NP(=O)(O)O
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.