Identita

Paliperidone Impurity 21

Neuvedeno · C38H57FN4O2

01Identita

Lazychem ID	LC-39367
CAS RN	Neuvedeno
PubChem CID	59800098
Molecular formula	C38H57FN4O2
Molecular weight	620.9 g/mol
IUPAC name	3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-9-pentadecyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
InChIKey	LEDFTPBRHYCDOX-UHFFFAOYSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Paliperidone Impurity 21 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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	5
Secondary amines	0
Tertiary amines	1

SMILES	CCCCCCCCCCCCCCCC1CCCN2C1=NC(=C(C2=O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F)C
InChI	Neuvedeno

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.