Identitet

Varenicline dioxo impurity

Ikke angivet · C13H13N3O2

01Identitet

Lazychem ID	LC-33636
CAS RN	Ikke angivet
PubChem CID	156028144
Molecular formula	C13H13N3O2
Molecular weight	243.26 g/mol
IUPAC name	(1R,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),10-triene-6,7-dione
InChIKey	NVAFOPXADNCSMW-KNVOCYPGSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Varenicline dioxo impurity — 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. These statements are calculated from the published structure string.

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

SMILES	C1[C@@H]2CNC[C@H]1C3=CC4=C(C=C23)NC(=O)C(=O)N4
InChI	Ikke angivet

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.