Identità

Elagolix Impurity 59

Non indicato · C26H27F4N3O4

01Identità

Lazychem ID	LC-34419
CAS RN	Non indicato
PubChem CID	138751000
Molecular formula	C26H27F4N3O4
Molecular weight	521.5 g/mol
IUPAC name	tert-butyl N-[(1R)-2-[3-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-dioxopyrimidin-1-yl]-1-phenylethyl]carbamate
InChIKey	LMQWICYQAYIORN-NRFANRHFSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Elagolix Impurity 59 — 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, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CC1=CC(=O)N(C(=O)N1CC2=C(C=CC=C2F)C(F)(F)F)C[C@@H](C3=CC=CC=C3)NC(=O)OC(C)(C)C
InChI	Non indicato

03Stereochemistry

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

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.