Identita

Sitagliptin FP impurity A

Neuvedeno · C20H19F6N5O5

01Identita

Lazychem ID	LC-33687
CAS RN	Neuvedeno
PubChem CID	155886358
Molecular formula	C20H19F6N5O5
Molecular weight	523.4 g/mol
IUPAC name	2-[[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]butanedioic acid
InChIKey	SDIOBAOATSWLLA-UHFFFAOYSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Sitagliptin FP impurity A — 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	1
Tertiary amines	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)NC(CC(=O)O)C(=O)O
InChI	Neuvedeno

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres2Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 4Before 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.