Tożsamość

Entecavir Impurity 61

Nie podano · C32H33N5O4

01Tożsamość

Lazychem ID	LC-35087
CAS RN	Nie podano
PubChem CID	133109023
Molecular formula	C32H33N5O4
Molecular weight	551.6 g/mol
IUPAC name	(1R,2R,3R,5R)-5-(2-amino-6-phenylmethoxypurin-9-yl)-3-phenylmethoxy-2-(phenylmethoxymethyl)cyclopentan-1-ol
InChIKey	SYPCZZWUNIHLBU-NFWVVERESA-N

02Struktura i stereochemia

Two-dimensional chemical structure of Entecavir Impurity 61 — 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	C1[C@H]([C@@H]([C@H]([C@@H]1OCC2=CC=CC=C2)COCC3=CC=CC=C3)O)N4C=NC5=C4N=C(N=C5OCC6=CC=CC=C6)N
InChI	Nie podano

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

2 records

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.