Identiteta

Capecitabine EP Impurity E

Ni navedeno · C15H22FN3O6

01Identiteta

Lazychem ID	LC-38245
CAS RN	Ni navedeno
PubChem CID	71435392
Molecular formula	C15H22FN3O6
Molecular weight	359.35 g/mol
IUPAC name	3-methylbutyl N-[1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-2-oxopyrimidin-4-yl]carbamate
InChIKey	PPVCPOIDSSQXMR-UHFFFAOYSA-N

02Struktura in stereokemija

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

The parsed structure contains 2 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	2
Secondary amines	0
Tertiary amines	0

SMILES	CC1C(C(C(O1)N2C=C(C(=NC2=O)NC(=O)OCCC(C)C)F)O)O
InChI	Ni navedeno

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

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.