Identità

Sitagliptin Impurity 131

Mhux elenkat · C16H13F6N5O3

01Identità

Lazychem ID	LC-37630
CAS RN	Mhux elenkat
PubChem CID	76187633
Molecular formula	C16H13F6N5O3
Molecular weight	437.30 g/mol
IUPAC name	3-nitro-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
InChIKey	CYOUYFMRHIYDGJ-UHFFFAOYSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of Sitagliptin Impurity 131 — 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, contains a nitro substructure. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)[N+](=O)[O-]
InChI	Mhux elenkat

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact 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.