Identitet

Capecitabine impurity C

Ikke angivet · C16H20FN3O7

01Identitet

Lazychem ID	LC-37653
CAS RN	Ikke angivet
PubChem CID	75213124
Molecular formula	C16H20FN3O7
Molecular weight	385.34 g/mol
IUPAC name	pentyl N-[5-fluoro-1-(6-methyl-2-oxo-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-2-oxopyrimidin-4-yl]carbamate
InChIKey	VTAMAYSBXXKQPB-UHFFFAOYSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Capecitabine impurity C — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C3C(C(O2)C)OC(=O)O3
InChI	Ikke angivet

03Stereochemistry

The published structure contains 0 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres4Structure unspecified

Assignment statusUnassignedExact 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.