Rolapitant Impurity 7

01Identità

Lazychem ID	LC-36927
CAS RN	Non indicato
PubChem CID	89953549
Molecular formula	C25H26F6N2O2
Molecular weight	500.5 g/mol
IUPAC name	(5R,8S)-8-[[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
InChIKey	FIVSJYGQAIEMOC-IRBZQWRBSA-N

02Struttura e stereochimica

Two-dimensional chemical structure of Rolapitant Impurity 7 — 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 3 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	3
Ring count	4
Secondary amines	1
Tertiary amines	0

SMILES	C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)OC[C@]2(CC[C@@]3(CCC(=O)N3)CN2)C4=CC=CC=C4
InChI	Non indicato

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

8 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.

CAS not listed

FIVSJYGQAIEMOC-IRBZQWRBSA-N

Current configuration