Identiteet

Ledipasvir Impurity 4

Pole loetletud · C27H26BrF2NO5

01Identiteet

Lazychem ID	LC-39437
CAS RN	Pole loetletud
PubChem CID	59610594
Molecular formula	C27H26BrF2NO5
Molecular weight	562.4 g/mol
IUPAC name	6-O-[2-(7-bromo-9,9-difluorofluoren-2-yl)-2-oxoethyl] 5-O-tert-butyl 5-azaspiro[2.4]heptane-5,6-dicarboxylate
InChIKey	OBNDCWOXZVJYLY-UHFFFAOYSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Ledipasvir Impurity 4 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 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	5
Secondary amines	0
Tertiary amines	0

SMILES	CC(C)(C)OC(=O)N1CC2(CC2)CC1C(=O)OCC(=O)C3=CC4=C(C=C3)C5=C(C4(F)F)C=C(C=C5)Br
InChI	Pole loetletud

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact published identity

Tetrahedral upper bound≤ 2Before 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.