Identita

Ceritinib Impurity 94

Neuvedeno · C28H36ClN5O3S

01Identita

Lazychem ID	LC-39379
CAS RN	Neuvedeno
PubChem CID	59764389
Molecular formula	C28H36ClN5O3S
Molecular weight	558.1 g/mol
IUPAC name	5-chloro-2-N-(5-methyl-4-piperidin-2-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)pyrimidine-2,4-diamine
InChIKey	VOASCOSDVNWJEV-UHFFFAOYSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Ceritinib Impurity 94 — 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, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	0
Ring count	4
Secondary amines	3
Tertiary amines	0

SMILES	CC1=CC(=C(C=C1C2CCCCN2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl
InChI	Neuvedeno

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.