Identita

Omarigliptin Impurity 36

Neuvedeno · C18H19F5N4O3S

01Identita

Lazychem ID	LC-35555
CAS RN	Neuvedeno
PubChem CID	129048619
Molecular formula	C18H19F5N4O3S
Molecular weight	466.4 g/mol
IUPAC name	(2R,3S,5S,6R)-2-(2,5-difluorophenyl)-5-(2-methylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-6-(trifluoromethyl)oxan-3-amine
InChIKey	GUBOXFWNNXSQNH-QMCVQRASSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Omarigliptin Impurity 36 — 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 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CS(=O)(=O)N1C=C2CN(CC2=N1)[C@H]3C[C@@H]([C@H](O[C@H]3C(F)(F)F)C4=C(C=CC(=C4)F)F)N
InChI	Neuvedeno

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

3 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.