Identität

Naltrexone N-oxide

Nicht angegeben · C20H23NO5

01Identität

Lazychem ID	LC-44312
CAS RN	Nicht angegeben
PubChem CID	14099365
Molecular formula	C20H23NO5
Molecular weight	357.4 g/mol
IUPAC name	(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-oxido-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one
InChIKey	JJAGFDOKJICYTI-MGQKVWQSSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Naltrexone N-oxide — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 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	6
Secondary amines	0
Tertiary amines	0

SMILES	C1CC1C[N+]2(CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)[O-]
InChI	Nicht angegeben

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.