Identidade

Nalmefene Impurity 5

Não indicado · C21H25NO3

01Identidade

Lazychem ID	LC-33233
CAS RN	Não indicado
PubChem CID	165429144
Molecular formula	C21H25NO3
Molecular weight	339.4 g/mol
IUPAC name	(4R,4aS,7aS,12bS)-3-but-3-enyl-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
InChIKey	RBIVPGSQKYUIET-MBPVOVBZSA-N

02Estrutura e estereoquímica

Two-dimensional chemical structure of Nalmefene Impurity 5 — 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	1

SMILES	C=CCCN1CC[C@]23[C@@H]4C(=C)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O
InChI	Não indicado

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

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.