Identität

Dolutegravir Impurity 10

Nicht angegeben · C27H24F4N4O4

01Identität

Lazychem ID	LC-32751
CAS RN	Nicht angegeben
PubChem CID	172866272
Molecular formula	C27H24F4N4O4
Molecular weight	544.5 g/mol
IUPAC name	(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-[(2,4-difluorophenyl)methylamino]-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
InChIKey	NQUXAEJPDHOWRF-PEBXRYMYSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Dolutegravir Impurity 10 — 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, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	5
Secondary amines	1
Tertiary amines	0

SMILES	C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)NCC5=C(C=C(C=C5)F)F
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 4Before 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.