Identität

Trifluridine Impurity 56

Nicht angegeben · C23H18Cl2N2O7

01Identität

Lazychem ID	LC-46255
CAS RN	Nicht angegeben
PubChem CID	11306689
Molecular formula	C23H18Cl2N2O7
Molecular weight	505.3 g/mol
IUPAC name	[(2R,3S,5R)-3-(4-chlorobenzoyl)oxy-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate
InChIKey	ZENYRNQJDVPHBS-NLWGTHIKSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Trifluridine Impurity 56 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	0
Tertiary amines	0

SMILES	C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl
InChI	Nicht angegeben

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

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.