Identität

Resmetirom Impurity 47

Nicht angegeben · C20H17Cl2N3O3

01Identität

Lazychem ID	LC-36902
CAS RN	Nicht angegeben
PubChem CID	90077923
Molecular formula	C20H17Cl2N3O3
Molecular weight	418.3 g/mol
IUPAC name	N-[3,5-dichloro-4-[(6-oxo-5-prop-1-en-2-yl-4,5-dihydro-1H-pyridazin-3-yl)oxy]phenyl]benzamide
InChIKey	OFOYVCUGSNKIHP-UHFFFAOYSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Resmetirom Impurity 47 — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

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

SMILES	CC(=C)C1CC(=NNC1=O)OC2=C(C=C(C=C2Cl)NC(=O)C3=CC=CC=C3)Cl
InChI	Nicht angegeben

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

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.