Identitate

Naltrexone Impurity 27

Nu este indicat · C17H19NO5

01Identitate

Lazychem ID	LC-44311
CAS RN	Nu este indicat
PubChem CID	14099371
Molecular formula	C17H19NO5
Molecular weight	317.34 g/mol
IUPAC name	(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
InChIKey	NPYFLWISQRYSQG-ALULZMFBSA-N

02Structură și stereochimie

Two-dimensional chemical structure of Naltrexone Impurity 27 — 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, has 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)[O-]
InChI	Nu este indicat

03Stereochemistry

The published structure contains 4 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 32Before 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.