Identitet

Entecavir Impurity 34

Ikke angivet · C53H49N5O4

01Identitet

Lazychem ID	LC-36533
CAS RN	Ikke angivet
PubChem CID	99651425
Molecular formula	C53H49N5O4
Molecular weight	820.0 g/mol
IUPAC name	N-[(4-methoxyphenyl)-diphenylmethyl]-9-[(1R,3S,4R)-2-methylidene-4-phenylmethoxy-3-(phenylmethoxymethyl)cyclopentyl]-6-phenylmethoxypurin-2-amine
InChIKey	OXHGMTPGAFKZHK-VJOZVQJDSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Entecavir Impurity 34 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 9 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	9
Secondary amines	1
Tertiary amines	0

SMILES	COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)N=CN5[C@@H]7C[C@H]([C@@H](C7=C)COCC8=CC=CC=C8)OCC9=CC=CC=C9
InChI	Ikke angivet

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before 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.