Identitet

Elagolix Impurity 63

Ikke angivet · C32H31F4N3O5

01Identitet

Lazychem ID	LC-38587
CAS RN	Ikke angivet
PubChem CID	71213664
Molecular formula	C32H31F4N3O5
Molecular weight	613.6 g/mol
IUPAC name	4-[[(1R)-2-[5-(2-fluoro-3-methoxyphenyl)-4-methyl-2,6-dioxo-3-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-1-yl]-1-phenylethyl]amino]butanoic acid
InChIKey	CZHPGAQFIYENQH-VWLOTQADSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Elagolix Impurity 63 — 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 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	CC1=C(C(=O)N(C(=O)N1CC2=CC=CC=C2C(F)(F)F)C[C@@H](C3=CC=CC=C3)NCCCC(=O)O)C4=C(C(=CC=C4)OC)F
InChI	Ikke angivet

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.