Identität

Entecavir impurity 39

Nicht angegeben · C15H19N5O5

01Identität

Lazychem IDLC-34116
CAS RNNicht angegeben
PubChem CID145708375
Molecular formulaC15H19N5O5
Molecular weight349.34 g/mol
IUPAC name2-[[9-[(1S,3R,4S)-4-hydroxy-3-(hydroxymethyl)-2-methylidenecyclopentyl]-6-oxo-1H-purin-2-yl]amino]propanoic acid
InChIKeyFJUGOJOVRGQPGT-CFEUDACVSA-N

02Struktur und Stereochemie

2D structurePubChem CID 145708375
Two-dimensional chemical structure of Entecavir impurity 39
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres3
Ring count3
Secondary amines1
Tertiary amines0
SMILESCC(C(=O)O)NC1=NC2=C(C(=O)N1)N=CN2[C@H]3C[C@@H]([C@H](C3=C)CO)O
InChINicht angegeben

03Stereochemistry

The published structure contains 3 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before symmetry reduction

Published same-connectivity configurations

3 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.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status in Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namen und Beziehungen

API und Ausgangsarzneistoff

Nicht angegeben

Namen und Beziehungen

    Verunreinigungen und verwandte Verbindungen

      06Quellen