Identitet

Dolutegravir Impurity 15

Ikke angivet · C21H21F2N3O5

01Identitet

Lazychem ID	LC-32931
CAS RN	Ikke angivet
PubChem CID	169443417
Molecular formula	C21H21F2N3O5
Molecular weight	433.4 g/mol
IUPAC name	(3R,7R)-N-[(2,4-difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
InChIKey	MOSMLVZNRGURDI-BDJLRTHQSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Dolutegravir Impurity 15 — 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 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	2
Ring count	4
Secondary amines	0
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)OC
InChI	Ikke angivet

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

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.